Showing NP-Card for Liposidolide A (NP0023036)
| Record Information | ||||||||||||||||||||||||||||||||||||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2021-01-06 08:10:12 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-07-15 17:40:39 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0023036 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Liposidolide A | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Liposidolide A is found in Streptomyces. Liposidolide A was first documented in 1995 (PMID: 8557591). | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for NP0023036 (Liposidolide A)
Mrv1652307042108133D
246250 0 0 0 0 999 V2000
22.3398 1.9691 0.6960 C 0 0 0 0 0 0 0 0 0 0 0 0
22.6684 1.0799 -0.4689 C 0 0 1 0 0 0 0 0 0 0 0 0
21.8091 -0.1641 -0.5435 C 0 0 2 0 0 0 0 0 0 0 0 0
21.9764 -0.9918 0.6872 C 0 0 1 0 0 0 0 0 0 0 0 0
21.1744 -2.2120 0.7554 C 0 0 2 0 0 0 0 0 0 0 0 0
19.7559 -2.2087 1.0438 C 0 0 1 0 0 0 0 0 0 0 0 0
18.7216 -1.4011 0.4143 C 0 0 1 0 0 0 0 0 0 0 0 0
18.6246 0.0452 0.7774 C 0 0 2 0 0 0 0 0 0 0 0 0
17.5452 0.7086 -0.0423 C 0 0 2 0 0 0 0 0 0 0 0 0
16.2476 0.0589 0.2308 C 0 0 0 0 0 0 0 0 0 0 0 0
15.5685 -0.5269 -0.7462 C 0 0 0 0 0 0 0 0 0 0 0 0
14.2614 -1.1633 -0.4029 C 0 0 2 0 0 0 0 0 0 0 0 0
14.4581 -2.3659 0.2697 O 0 0 0 0 0 0 0 0 0 0 0 0
13.4639 -1.4272 -1.6783 C 0 0 2 0 0 0 0 0 0 0 0 0
13.2271 -0.1243 -2.4170 C 0 0 1 0 0 0 0 0 0 0 0 0
12.5004 -0.4438 -3.5596 O 0 0 0 0 0 0 0 0 0 0 0 0
12.4910 0.8930 -1.6252 C 0 0 2 0 0 0 0 0 0 0 0 0
11.1475 0.4040 -1.2553 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1691 0.5634 -2.0760 O 0 0 0 0 0 0 0 0 0 0 0 0
10.8619 -0.2287 -0.0528 O 0 0 0 0 0 0 0 0 0 0 0 0
9.5631 -0.6355 0.2038 C 0 0 2 0 0 0 0 0 0 0 0 0
8.9152 0.0918 1.3949 C 0 0 2 0 0 0 0 0 0 0 0 0
7.4184 -0.2090 1.2252 C 0 0 2 0 0 0 0 0 0 0 0 0
6.6394 0.4093 2.1861 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8254 1.4619 1.5401 C 0 0 2 0 0 0 0 0 0 0 0 0
6.4348 2.6675 2.2082 C 0 0 1 0 0 0 0 0 0 0 0 0
5.9780 4.0182 1.8056 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4440 1.0720 1.9572 C 0 0 2 0 0 0 0 0 0 0 0 0
4.1341 -0.3654 1.5071 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3042 1.9567 1.7812 C 0 0 1 0 0 0 0 0 0 0 0 0
3.4449 3.1432 2.4617 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6184 2.1644 0.4800 C 0 0 1 0 0 0 0 0 0 0 0 0
3.4039 2.6886 -0.6534 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6068 1.0903 0.1401 C 0 0 1 0 0 0 0 0 0 0 0 0
0.6089 1.0265 1.1371 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8415 1.3388 -1.1439 C 0 0 2 0 0 0 0 0 0 0 0 0
0.0929 2.6303 -1.1007 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1357 0.1534 -1.2707 C 0 0 2 0 0 0 0 0 0 0 0 0
0.6282 -0.9807 -1.3023 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5616 -2.2059 -0.7327 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7911 -3.1854 -1.5467 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2800 -2.5807 0.6302 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7507 -2.0557 1.2785 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1102 -2.0136 0.7140 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.8657 -0.9072 1.4622 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8400 -3.3280 0.8739 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.9807 -4.2520 1.5151 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1312 -3.2315 1.6195 C 0 0 2 0 0 0 0 0 0 0 0 0
-5.1048 -4.2893 1.1449 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.3435 -5.2653 0.5110 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.0809 -3.7571 0.1378 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.0171 -2.7305 0.6765 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.5120 -1.8853 -0.4991 C 0 0 1 0 0 0 0 0 0 0 0 0
-8.7186 -2.5217 -1.1425 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.3321 -3.0372 -2.3756 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.8136 -1.5075 -1.4089 C 0 0 2 0 0 0 0 0 0 0 0 0
-10.4346 -1.0234 -0.1055 C 0 0 2 0 0 0 0 0 0 0 0 0
-11.6759 -1.7816 0.2428 C 0 0 1 0 0 0 0 0 0 0 0 0
-11.5090 -2.6005 1.5127 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.9063 -0.8540 0.3884 C 0 0 1 0 0 0 0 0 0 0 0 0
-13.8366 -1.6680 1.0421 O 0 0 0 0 0 0 0 0 0 0 0 0
-14.8965 -2.0764 0.2415 C 0 0 1 0 0 0 0 0 0 0 0 0
-14.8565 -3.4431 -0.0069 O 0 0 0 0 0 0 0 0 0 0 0 0
-15.5947 -3.7843 -1.0942 C 0 0 2 0 0 0 0 0 0 0 0 0
-15.0306 -3.3400 -2.4260 C 0 0 2 0 0 0 0 0 0 0 0 0
-15.8792 -3.7781 -3.4759 O 0 0 0 0 0 0 0 0 0 0 0 0
-17.0187 -3.3200 -0.9105 C 0 0 1 0 0 0 0 0 0 0 0 0
-17.8593 -4.4137 -1.0070 O 0 0 0 0 0 0 0 0 0 0 0 0
-17.2230 -2.7270 0.4701 C 0 0 2 0 0 0 0 0 0 0 0 0
-18.5052 -2.2412 0.5786 O 0 0 0 0 0 0 0 0 0 0 0 0
-16.2292 -1.5948 0.7039 C 0 0 2 0 0 0 0 0 0 0 0 0
-16.6662 -0.4567 0.0161 O 0 0 0 0 0 0 0 0 0 0 0 0
-12.5747 0.3535 1.1238 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.1359 0.1508 2.2823 O 0 0 0 0 0 0 0 0 0 0 0 0
-12.6646 1.7712 0.7433 C 0 0 1 0 0 0 0 0 0 0 0 0
-13.6193 2.3797 1.6015 O 0 0 0 0 0 0 0 0 0 0 0 0
-11.4509 2.3490 1.1291 O 0 0 0 0 0 0 0 0 0 0 0 0
-11.4860 3.7123 1.1874 C 0 0 1 0 0 0 0 0 0 0 0 0
-10.1157 4.2441 0.8426 C 0 0 1 0 0 0 0 0 0 0 0 0
-9.5545 5.1215 1.9355 C 0 0 2 0 0 0 0 0 0 0 0 0
-10.4791 6.0450 2.3986 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.3184 5.8026 1.3856 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.1466 4.8499 1.3387 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.5046 4.9218 2.5703 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.2042 5.2081 0.2315 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.0900 4.1637 -0.8320 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.2909 3.9095 -1.4683 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.4867 2.8816 -0.3231 C 0 0 2 0 0 0 0 0 0 0 0 0
-5.6539 1.7504 -1.2893 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.1566 2.0420 -2.6668 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.4209 0.8714 -3.2856 C 0 0 2 0 0 0 0 0 0 0 0 0
-5.2768 -0.1752 -3.5894 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3180 0.3548 -2.3939 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.8139 1.1925 -1.4320 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0323 1.1767 -2.5658 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.8216 0.2776 -2.6262 C 0 0 1 0 0 0 0 0 0 0 0 0
0.1202 0.5851 -3.7426 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.4647 4.3296 0.2126 C 0 0 1 0 0 0 0 0 0 0 0 0
-12.4882 3.4808 -1.0293 C 0 0 1 0 0 0 0 0 0 0 0 0
-11.1985 3.3359 -1.5373 O 0 0 0 0 0 0 0 0 0 0 0 0
-13.0634 2.1088 -0.6331 C 0 0 1 0 0 0 0 0 0 0 0 0
-12.7586 1.1823 -1.6188 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2212 -1.5664 1.2621 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8534 -2.3290 0.3306 C 0 0 2 0 0 0 0 0 0 0 0 0
7.5189 -3.7818 0.6149 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3706 -2.1091 0.4689 C 0 0 1 0 0 0 0 0 0 0 0 0
10.0738 -2.9323 -0.3734 O 0 0 0 0 0 0 0 0 0 0 0 0
10.8607 -3.7719 0.4441 C 0 0 0 0 0 0 0 0 0 0 0 0
22.9249 2.9159 0.6212 H 0 0 0 0 0 0 0 0 0 0 0 0
22.6930 1.4849 1.6525 H 0 0 0 0 0 0 0 0 0 0 0 0
21.2721 2.1937 0.8070 H 0 0 0 0 0 0 0 0 0 0 0 0
22.4748 1.6763 -1.4081 H 0 0 0 0 0 0 0 0 0 0 0 0
23.7237 0.7534 -0.4280 H 0 0 0 0 0 0 0 0 0 0 0 0
22.3280 -0.8013 -1.3683 H 0 0 0 0 0 0 0 0 0 0 0 0
20.8160 -0.0175 -0.9234 H 0 0 0 0 0 0 0 0 0 0 0 0
23.0753 -1.2418 0.7926 H 0 0 0 0 0 0 0 0 0 0 0 0
21.7836 -0.3157 1.5818 H 0 0 0 0 0 0 0 0 0 0 0 0
21.6795 -2.9765 1.4772 H 0 0 0 0 0 0 0 0 0 0 0 0
21.2748 -2.7549 -0.2788 H 0 0 0 0 0 0 0 0 0 0 0 0
19.3816 -3.3075 0.9593 H 0 0 0 0 0 0 0 0 0 0 0 0
19.6318 -2.0600 2.1971 H 0 0 0 0 0 0 0 0 0 0 0 0
18.8941 -1.4087 -0.7157 H 0 0 0 0 0 0 0 0 0 0 0 0
17.6904 -1.8429 0.5966 H 0 0 0 0 0 0 0 0 0 0 0 0
19.5347 0.5873 0.7780 H 0 0 0 0 0 0 0 0 0 0 0 0
18.2034 0.1171 1.8661 H 0 0 0 0 0 0 0 0 0 0 0 0
17.8109 0.7237 -1.1054 H 0 0 0 0 0 0 0 0 0 0 0 0
17.5070 1.7851 0.2929 H 0 0 0 0 0 0 0 0 0 0 0 0
15.8407 0.0547 1.2310 H 0 0 0 0 0 0 0 0 0 0 0 0
15.9764 -0.5258 -1.7546 H 0 0 0 0 0 0 0 0 0 0 0 0
13.6701 -0.4702 0.2100 H 0 0 0 0 0 0 0 0 0 0 0 0
14.2112 -3.1207 -0.3139 H 0 0 0 0 0 0 0 0 0 0 0 0
12.5005 -1.8892 -1.4675 H 0 0 0 0 0 0 0 0 0 0 0 0
14.0534 -2.0848 -2.3414 H 0 0 0 0 0 0 0 0 0 0 0 0
14.1918 0.3033 -2.7863 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8393 -1.1619 -3.3851 H 0 0 0 0 0 0 0 0 0 0 0 0
12.3430 1.7915 -2.2638 H 0 0 0 0 0 0 0 0 0 0 0 0
13.0379 1.2242 -0.7120 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8968 -0.3581 -0.6600 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0905 1.1491 1.2045 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2872 -0.2819 2.3433 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1330 0.2040 0.2370 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0591 1.4735 0.4941 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3068 2.5861 3.3356 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5555 2.6493 2.0624 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8900 4.6609 1.4802 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3769 4.0226 0.8912 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5426 4.6439 2.6228 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5247 0.9382 3.0947 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3071 -0.5666 0.4733 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1034 -0.6104 1.9023 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7901 -1.0179 2.1264 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4510 1.4324 2.4107 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9211 3.8895 2.0734 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9199 3.0618 0.7308 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7794 2.6713 -1.5744 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3186 2.1347 -0.9313 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5984 3.8050 -0.5335 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0813 0.0859 -0.0339 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8775 0.3130 1.7670 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5355 1.3231 -1.9833 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7404 2.6000 -0.3342 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7013 3.5011 -0.7839 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3852 2.9182 -2.0341 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8408 0.2475 -0.4570 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9285 -3.3182 1.1655 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5554 -1.6459 2.2867 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1661 -1.7332 -0.3446 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0809 -1.1766 2.5060 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1829 -0.0092 1.5065 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7405 -0.5546 0.8881 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0311 -3.7781 -0.1227 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4537 -4.7579 0.8516 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5813 -2.2330 1.6560 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8981 -3.5043 2.6916 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6537 -4.7201 1.9813 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8996 -5.9629 0.0861 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7015 -4.6301 -0.1998 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5890 -3.3690 -0.7780 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9349 -3.1807 1.1433 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5929 -2.0389 1.4113 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7266 -0.8575 -0.1353 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6574 -1.8013 -1.2000 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1638 -3.3416 -0.5647 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9479 -2.3208 -2.9307 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.5402 -1.9707 -2.0823 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3934 -0.6303 -1.9218 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.7017 0.0395 -0.2589 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6279 -1.1432 0.6546 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.8680 -2.5097 -0.5719 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.4970 -2.9504 1.8200 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.9663 -2.0434 2.3018 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.9019 -3.4778 1.2500 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.2781 -0.7408 -0.6365 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.7033 -1.5805 -0.7460 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.5652 -4.9218 -1.1491 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.0432 -3.7884 -2.6303 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.9844 -2.2466 -2.5558 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.0646 -4.7478 -3.3654 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.2235 -2.5355 -1.6459 H 0 0 0 0 0 0 0 0 0 0 0 0
-18.7379 -4.1750 -1.3945 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.9931 -3.4904 1.2394 H 0 0 0 0 0 0 0 0 0 0 0 0
-18.6921 -1.6557 -0.2019 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.2789 -1.3559 1.7841 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.9511 -0.6501 -0.9073 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.3228 1.7381 1.8621 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.7975 4.0963 2.2033 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.4166 3.3887 0.7529 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.1251 4.8604 -0.0889 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2403 4.4902 2.7940 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.0017 6.6621 3.0046 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5863 6.1285 0.3386 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0070 6.6659 2.0007 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4616 3.7977 1.1959 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5665 4.0872 3.0888 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5273 6.1526 -0.2582 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1912 5.3897 0.6370 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3646 4.5695 -1.5950 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8279 3.1964 -1.0757 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9538 2.5539 0.6388 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4063 2.9863 -0.0904 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0968 0.8680 -0.8697 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7289 1.4080 -1.3063 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0360 2.2404 -3.3115 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5078 2.9368 -2.7113 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9316 1.2490 -4.2078 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0783 -0.9497 -3.0088 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1991 -0.7331 -2.2626 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1199 1.9634 -3.3477 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2426 -0.7516 -2.8668 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4611 0.4664 -4.6925 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5548 1.5794 -3.7584 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8668 -0.2357 -3.7736 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.4862 4.4435 0.6105 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.0973 5.3413 -0.1286 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.1421 3.9869 -1.7737 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.2704 2.7543 -2.3598 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.1815 2.2724 -0.7367 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.3540 1.3081 -2.4045 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5020 -2.1156 -0.6871 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9925 -4.4707 -0.1088 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4244 -3.9005 0.5197 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7816 -4.0599 1.6615 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5835 -2.2927 1.5473 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5193 -3.0923 1.0269 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4073 -4.5346 -0.1326 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1749 -4.2607 1.1957 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
12 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
15 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
18 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
25 28 1 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
30 31 1 0 0 0 0
30 32 1 0 0 0 0
32 33 1 0 0 0 0
32 34 1 0 0 0 0
34 35 1 0 0 0 0
34 36 1 0 0 0 0
36 37 1 0 0 0 0
36 38 1 0 0 0 0
38 39 1 0 0 0 0
39 40 1 0 0 0 0
40 41 2 0 0 0 0
40 42 1 0 0 0 0
42 43 2 0 0 0 0
43 44 1 0 0 0 0
44 45 1 0 0 0 0
44 46 1 0 0 0 0
46 47 1 0 0 0 0
46 48 1 0 0 0 0
48 49 1 0 0 0 0
49 50 1 0 0 0 0
49 51 1 0 0 0 0
51 52 1 0 0 0 0
52 53 1 0 0 0 0
53 54 1 0 0 0 0
54 55 1 0 0 0 0
54 56 1 0 0 0 0
56 57 1 0 0 0 0
57 58 1 0 0 0 0
58 59 1 0 0 0 0
58 60 1 0 0 0 0
60 61 1 0 0 0 0
61 62 1 0 0 0 0
62 63 1 0 0 0 0
63 64 1 0 0 0 0
64 65 1 0 0 0 0
65 66 1 0 0 0 0
64 67 1 0 0 0 0
67 68 1 0 0 0 0
67 69 1 0 0 0 0
69 70 1 0 0 0 0
69 71 1 0 0 0 0
71 72 1 0 0 0 0
60 73 1 0 0 0 0
73 74 2 0 0 0 0
73 75 1 0 0 0 0
75 76 1 1 0 0 0
75 77 1 0 0 0 0
77 78 1 0 0 0 0
78 79 1 0 0 0 0
79 80 1 0 0 0 0
80 81 1 0 0 0 0
80 82 1 0 0 0 0
82 83 1 0 0 0 0
83 84 1 0 0 0 0
83 85 1 0 0 0 0
85 86 1 0 0 0 0
86 87 1 0 0 0 0
86 88 1 0 0 0 0
88 89 1 0 0 0 0
89 90 1 0 0 0 0
90 91 1 0 0 0 0
91 92 1 0 0 0 0
91 93 1 0 0 0 0
93 94 1 0 0 0 0
94 95 1 0 0 0 0
95 96 1 0 0 0 0
96 97 1 0 0 0 0
78 98 1 0 0 0 0
98 99 1 0 0 0 0
99100 1 0 0 0 0
99101 1 0 0 0 0
101102 1 0 0 0 0
23103 1 0 0 0 0
103104 1 0 0 0 0
104105 1 0 0 0 0
104106 1 0 0 0 0
106107 1 0 0 0 0
107108 1 0 0 0 0
106 21 1 0 0 0 0
96 38 1 0 0 0 0
71 62 1 0 0 0 0
101 75 1 0 0 0 0
95 93 1 0 0 0 0
1109 1 0 0 0 0
1110 1 0 0 0 0
1111 1 0 0 0 0
2112 1 0 0 0 0
2113 1 0 0 0 0
3114 1 0 0 0 0
3115 1 0 0 0 0
4116 1 0 0 0 0
4117 1 0 0 0 0
5118 1 0 0 0 0
5119 1 0 0 0 0
6120 1 0 0 0 0
6121 1 0 0 0 0
7122 1 0 0 0 0
7123 1 0 0 0 0
8124 1 0 0 0 0
8125 1 0 0 0 0
9126 1 0 0 0 0
9127 1 0 0 0 0
10128 1 0 0 0 0
11129 1 0 0 0 0
12130 1 1 0 0 0
13131 1 0 0 0 0
14132 1 0 0 0 0
14133 1 0 0 0 0
15134 1 6 0 0 0
16135 1 0 0 0 0
17136 1 0 0 0 0
17137 1 0 0 0 0
21138 1 6 0 0 0
22139 1 0 0 0 0
22140 1 0 0 0 0
23141 1 6 0 0 0
25142 1 6 0 0 0
26143 1 0 0 0 0
26144 1 0 0 0 0
27145 1 0 0 0 0
27146 1 0 0 0 0
27147 1 0 0 0 0
28148 1 1 0 0 0
29149 1 0 0 0 0
29150 1 0 0 0 0
29151 1 0 0 0 0
30152 1 1 0 0 0
31153 1 0 0 0 0
32154 1 1 0 0 0
33155 1 0 0 0 0
33156 1 0 0 0 0
33157 1 0 0 0 0
34158 1 6 0 0 0
35159 1 0 0 0 0
36160 1 6 0 0 0
37161 1 0 0 0 0
37162 1 0 0 0 0
37163 1 0 0 0 0
38164 1 1 0 0 0
42165 1 0 0 0 0
43166 1 0 0 0 0
44167 1 6 0 0 0
45168 1 0 0 0 0
45169 1 0 0 0 0
45170 1 0 0 0 0
46171 1 6 0 0 0
47172 1 0 0 0 0
48173 1 0 0 0 0
48174 1 0 0 0 0
49175 1 1 0 0 0
50176 1 0 0 0 0
51177 1 0 0 0 0
51178 1 0 0 0 0
52179 1 0 0 0 0
52180 1 0 0 0 0
53181 1 0 0 0 0
53182 1 0 0 0 0
54183 1 1 0 0 0
55184 1 0 0 0 0
56185 1 0 0 0 0
56186 1 0 0 0 0
57187 1 0 0 0 0
57188 1 0 0 0 0
58189 1 6 0 0 0
59190 1 0 0 0 0
59191 1 0 0 0 0
59192 1 0 0 0 0
60193 1 6 0 0 0
62194 1 6 0 0 0
64195 1 6 0 0 0
65196 1 0 0 0 0
65197 1 0 0 0 0
66198 1 0 0 0 0
67199 1 6 0 0 0
68200 1 0 0 0 0
69201 1 1 0 0 0
70202 1 0 0 0 0
71203 1 1 0 0 0
72204 1 0 0 0 0
76205 1 0 0 0 0
78206 1 1 0 0 0
79207 1 0 0 0 0
79208 1 0 0 0 0
80209 1 1 0 0 0
81210 1 0 0 0 0
82211 1 0 0 0 0
82212 1 0 0 0 0
83213 1 6 0 0 0
84214 1 0 0 0 0
85215 1 0 0 0 0
85216 1 0 0 0 0
86217 1 6 0 0 0
87218 1 0 0 0 0
88219 1 0 0 0 0
88220 1 0 0 0 0
89221 1 0 0 0 0
89222 1 0 0 0 0
90223 1 0 0 0 0
90224 1 0 0 0 0
91225 1 6 0 0 0
92226 1 0 0 0 0
93227 1 1 0 0 0
95228 1 6 0 0 0
96229 1 6 0 0 0
97230 1 0 0 0 0
97231 1 0 0 0 0
97232 1 0 0 0 0
98233 1 0 0 0 0
98234 1 0 0 0 0
99235 1 6 0 0 0
100236 1 0 0 0 0
101237 1 1 0 0 0
102238 1 0 0 0 0
104239 1 6 0 0 0
105240 1 0 0 0 0
105241 1 0 0 0 0
105242 1 0 0 0 0
106243 1 1 0 0 0
108244 1 0 0 0 0
108245 1 0 0 0 0
108246 1 0 0 0 0
M END
3D MOL for NP0023036 (Liposidolide A)
RDKit 3D
246250 0 0 0 0 0 0 0 0999 V2000
22.3398 1.9691 0.6960 C 0 0 0 0 0 0 0 0 0 0 0 0
22.6684 1.0799 -0.4689 C 0 0 0 0 0 0 0 0 0 0 0 0
21.8091 -0.1641 -0.5435 C 0 0 0 0 0 0 0 0 0 0 0 0
21.9764 -0.9918 0.6872 C 0 0 0 0 0 0 0 0 0 0 0 0
21.1744 -2.2120 0.7554 C 0 0 0 0 0 0 0 0 0 0 0 0
19.7559 -2.2087 1.0438 C 0 0 0 0 0 0 0 0 0 0 0 0
18.7216 -1.4011 0.4143 C 0 0 0 0 0 0 0 0 0 0 0 0
18.6246 0.0452 0.7774 C 0 0 0 0 0 0 0 0 0 0 0 0
17.5452 0.7086 -0.0423 C 0 0 0 0 0 0 0 0 0 0 0 0
16.2476 0.0589 0.2308 C 0 0 0 0 0 0 0 0 0 0 0 0
15.5685 -0.5269 -0.7462 C 0 0 0 0 0 0 0 0 0 0 0 0
14.2614 -1.1633 -0.4029 C 0 0 2 0 0 0 0 0 0 0 0 0
14.4581 -2.3659 0.2697 O 0 0 0 0 0 0 0 0 0 0 0 0
13.4639 -1.4272 -1.6783 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2271 -0.1243 -2.4170 C 0 0 1 0 0 0 0 0 0 0 0 0
12.5004 -0.4438 -3.5596 O 0 0 0 0 0 0 0 0 0 0 0 0
12.4910 0.8930 -1.6252 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1475 0.4040 -1.2553 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1691 0.5634 -2.0760 O 0 0 0 0 0 0 0 0 0 0 0 0
10.8619 -0.2287 -0.0528 O 0 0 0 0 0 0 0 0 0 0 0 0
9.5631 -0.6355 0.2038 C 0 0 2 0 0 0 0 0 0 0 0 0
8.9152 0.0918 1.3949 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4184 -0.2090 1.2252 C 0 0 2 0 0 0 0 0 0 0 0 0
6.6394 0.4093 2.1861 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8254 1.4619 1.5401 C 0 0 2 0 0 0 0 0 0 0 0 0
6.4348 2.6675 2.2082 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9780 4.0182 1.8056 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4440 1.0720 1.9572 C 0 0 2 0 0 0 0 0 0 0 0 0
4.1341 -0.3654 1.5071 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3042 1.9567 1.7812 C 0 0 1 0 0 0 0 0 0 0 0 0
3.4449 3.1432 2.4617 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6184 2.1644 0.4800 C 0 0 1 0 0 0 0 0 0 0 0 0
3.4039 2.6886 -0.6534 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6068 1.0903 0.1401 C 0 0 1 0 0 0 0 0 0 0 0 0
0.6089 1.0265 1.1371 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8415 1.3388 -1.1439 C 0 0 2 0 0 0 0 0 0 0 0 0
0.0929 2.6303 -1.1007 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1357 0.1534 -1.2707 C 0 0 2 0 0 0 0 0 0 0 0 0
0.6282 -0.9807 -1.3023 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5616 -2.2059 -0.7327 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7911 -3.1854 -1.5467 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2800 -2.5807 0.6302 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7507 -2.0557 1.2785 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1102 -2.0136 0.7140 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.8657 -0.9072 1.4622 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8400 -3.3280 0.8739 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.9807 -4.2520 1.5151 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1312 -3.2315 1.6195 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1048 -4.2893 1.1449 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.3435 -5.2653 0.5110 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.0809 -3.7571 0.1378 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0171 -2.7305 0.6765 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5120 -1.8853 -0.4991 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.7186 -2.5217 -1.1425 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.3321 -3.0372 -2.3756 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.8136 -1.5075 -1.4089 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.4346 -1.0234 -0.1055 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.6759 -1.7816 0.2428 C 0 0 1 0 0 0 0 0 0 0 0 0
-11.5090 -2.6005 1.5127 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.9063 -0.8540 0.3884 C 0 0 1 0 0 0 0 0 0 0 0 0
-13.8366 -1.6680 1.0421 O 0 0 0 0 0 0 0 0 0 0 0 0
-14.8965 -2.0764 0.2415 C 0 0 1 0 0 0 0 0 0 0 0 0
-14.8565 -3.4431 -0.0069 O 0 0 0 0 0 0 0 0 0 0 0 0
-15.5947 -3.7843 -1.0942 C 0 0 2 0 0 0 0 0 0 0 0 0
-15.0306 -3.3400 -2.4260 C 0 0 0 0 0 0 0 0 0 0 0 0
-15.8792 -3.7781 -3.4759 O 0 0 0 0 0 0 0 0 0 0 0 0
-17.0187 -3.3200 -0.9105 C 0 0 1 0 0 0 0 0 0 0 0 0
-17.8593 -4.4137 -1.0070 O 0 0 0 0 0 0 0 0 0 0 0 0
-17.2230 -2.7270 0.4701 C 0 0 2 0 0 0 0 0 0 0 0 0
-18.5052 -2.2412 0.5786 O 0 0 0 0 0 0 0 0 0 0 0 0
-16.2292 -1.5948 0.7039 C 0 0 2 0 0 0 0 0 0 0 0 0
-16.6662 -0.4567 0.0161 O 0 0 0 0 0 0 0 0 0 0 0 0
-12.5747 0.3535 1.1238 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.1359 0.1508 2.2823 O 0 0 0 0 0 0 0 0 0 0 0 0
-12.6646 1.7712 0.7433 C 0 0 1 0 0 0 0 0 0 0 0 0
-13.6193 2.3797 1.6015 O 0 0 0 0 0 0 0 0 0 0 0 0
-11.4509 2.3490 1.1291 O 0 0 0 0 0 0 0 0 0 0 0 0
-11.4860 3.7123 1.1874 C 0 0 1 0 0 0 0 0 0 0 0 0
-10.1157 4.2441 0.8426 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.5545 5.1215 1.9355 C 0 0 2 0 0 0 0 0 0 0 0 0
-10.4791 6.0450 2.3986 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.3184 5.8026 1.3856 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1466 4.8499 1.3387 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.5046 4.9218 2.5703 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.2042 5.2081 0.2315 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0900 4.1637 -0.8320 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.2909 3.9095 -1.4683 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.4867 2.8816 -0.3231 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6539 1.7504 -1.2893 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1566 2.0420 -2.6668 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4209 0.8714 -3.2856 C 0 0 2 0 0 0 0 0 0 0 0 0
-5.2768 -0.1752 -3.5894 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3180 0.3548 -2.3939 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.8139 1.1925 -1.4320 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0323 1.1767 -2.5658 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.8216 0.2776 -2.6262 C 0 0 1 0 0 0 0 0 0 0 0 0
0.1202 0.5851 -3.7426 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.4647 4.3296 0.2126 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.4882 3.4808 -1.0293 C 0 0 1 0 0 0 0 0 0 0 0 0
-11.1985 3.3359 -1.5373 O 0 0 0 0 0 0 0 0 0 0 0 0
-13.0634 2.1088 -0.6331 C 0 0 1 0 0 0 0 0 0 0 0 0
-12.7586 1.1823 -1.6188 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2212 -1.5664 1.2621 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8534 -2.3290 0.3306 C 0 0 2 0 0 0 0 0 0 0 0 0
7.5189 -3.7818 0.6149 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3706 -2.1091 0.4689 C 0 0 1 0 0 0 0 0 0 0 0 0
10.0738 -2.9323 -0.3734 O 0 0 0 0 0 0 0 0 0 0 0 0
10.8607 -3.7719 0.4441 C 0 0 0 0 0 0 0 0 0 0 0 0
22.9249 2.9159 0.6212 H 0 0 0 0 0 0 0 0 0 0 0 0
22.6930 1.4849 1.6525 H 0 0 0 0 0 0 0 0 0 0 0 0
21.2721 2.1937 0.8070 H 0 0 0 0 0 0 0 0 0 0 0 0
22.4748 1.6763 -1.4081 H 0 0 0 0 0 0 0 0 0 0 0 0
23.7237 0.7534 -0.4280 H 0 0 0 0 0 0 0 0 0 0 0 0
22.3280 -0.8013 -1.3683 H 0 0 0 0 0 0 0 0 0 0 0 0
20.8160 -0.0175 -0.9234 H 0 0 0 0 0 0 0 0 0 0 0 0
23.0753 -1.2418 0.7926 H 0 0 0 0 0 0 0 0 0 0 0 0
21.7836 -0.3157 1.5818 H 0 0 0 0 0 0 0 0 0 0 0 0
21.6795 -2.9765 1.4772 H 0 0 0 0 0 0 0 0 0 0 0 0
21.2748 -2.7549 -0.2788 H 0 0 0 0 0 0 0 0 0 0 0 0
19.3816 -3.3075 0.9593 H 0 0 0 0 0 0 0 0 0 0 0 0
19.6318 -2.0600 2.1971 H 0 0 0 0 0 0 0 0 0 0 0 0
18.8941 -1.4087 -0.7157 H 0 0 0 0 0 0 0 0 0 0 0 0
17.6904 -1.8429 0.5966 H 0 0 0 0 0 0 0 0 0 0 0 0
19.5347 0.5873 0.7780 H 0 0 0 0 0 0 0 0 0 0 0 0
18.2034 0.1171 1.8661 H 0 0 0 0 0 0 0 0 0 0 0 0
17.8109 0.7237 -1.1054 H 0 0 0 0 0 0 0 0 0 0 0 0
17.5070 1.7851 0.2929 H 0 0 0 0 0 0 0 0 0 0 0 0
15.8407 0.0547 1.2310 H 0 0 0 0 0 0 0 0 0 0 0 0
15.9764 -0.5258 -1.7546 H 0 0 0 0 0 0 0 0 0 0 0 0
13.6701 -0.4702 0.2100 H 0 0 0 0 0 0 0 0 0 0 0 0
14.2112 -3.1207 -0.3139 H 0 0 0 0 0 0 0 0 0 0 0 0
12.5005 -1.8892 -1.4675 H 0 0 0 0 0 0 0 0 0 0 0 0
14.0534 -2.0848 -2.3414 H 0 0 0 0 0 0 0 0 0 0 0 0
14.1918 0.3033 -2.7863 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8393 -1.1619 -3.3851 H 0 0 0 0 0 0 0 0 0 0 0 0
12.3430 1.7915 -2.2638 H 0 0 0 0 0 0 0 0 0 0 0 0
13.0379 1.2242 -0.7120 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8968 -0.3581 -0.6600 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0905 1.1491 1.2045 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2872 -0.2819 2.3433 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1330 0.2040 0.2370 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0591 1.4735 0.4941 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3068 2.5861 3.3356 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5555 2.6493 2.0624 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8900 4.6609 1.4802 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3769 4.0226 0.8912 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5426 4.6439 2.6228 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5247 0.9382 3.0947 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3071 -0.5666 0.4733 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1034 -0.6104 1.9023 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7901 -1.0179 2.1264 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4510 1.4324 2.4107 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9211 3.8895 2.0734 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9199 3.0618 0.7308 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7794 2.6713 -1.5744 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3186 2.1347 -0.9313 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5984 3.8050 -0.5335 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0813 0.0859 -0.0339 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8775 0.3130 1.7670 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5355 1.3231 -1.9833 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7404 2.6000 -0.3342 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7013 3.5011 -0.7839 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3852 2.9182 -2.0341 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8408 0.2475 -0.4570 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9285 -3.3182 1.1655 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5554 -1.6459 2.2867 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1661 -1.7332 -0.3446 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0809 -1.1766 2.5060 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1829 -0.0092 1.5065 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7405 -0.5546 0.8881 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0311 -3.7781 -0.1227 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4537 -4.7579 0.8516 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5813 -2.2330 1.6560 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8981 -3.5043 2.6916 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6537 -4.7201 1.9813 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8996 -5.9629 0.0861 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7015 -4.6301 -0.1998 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5890 -3.3690 -0.7780 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9349 -3.1807 1.1433 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5929 -2.0389 1.4113 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7266 -0.8575 -0.1353 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6574 -1.8013 -1.2000 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1638 -3.3416 -0.5647 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9479 -2.3208 -2.9307 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.5402 -1.9707 -2.0823 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3934 -0.6303 -1.9218 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.7017 0.0395 -0.2589 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6279 -1.1432 0.6546 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.8680 -2.5097 -0.5719 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.4970 -2.9504 1.8200 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.9663 -2.0434 2.3018 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.9019 -3.4778 1.2500 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.2781 -0.7408 -0.6365 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.7033 -1.5805 -0.7460 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.5652 -4.9218 -1.1491 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.0432 -3.7884 -2.6303 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.9844 -2.2466 -2.5558 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.0646 -4.7478 -3.3654 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.2235 -2.5355 -1.6459 H 0 0 0 0 0 0 0 0 0 0 0 0
-18.7379 -4.1750 -1.3945 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.9931 -3.4904 1.2394 H 0 0 0 0 0 0 0 0 0 0 0 0
-18.6921 -1.6557 -0.2019 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.2789 -1.3559 1.7841 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.9511 -0.6501 -0.9073 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.3228 1.7381 1.8621 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.7975 4.0963 2.2033 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.4166 3.3887 0.7529 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.1251 4.8604 -0.0889 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2403 4.4902 2.7940 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.0017 6.6621 3.0046 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5863 6.1285 0.3386 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0070 6.6659 2.0007 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4616 3.7977 1.1959 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5665 4.0872 3.0888 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5273 6.1526 -0.2582 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1912 5.3897 0.6370 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3646 4.5695 -1.5950 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8279 3.1964 -1.0757 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9538 2.5539 0.6388 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4063 2.9863 -0.0904 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0968 0.8680 -0.8697 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7289 1.4080 -1.3063 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0360 2.2404 -3.3115 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5078 2.9368 -2.7113 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9316 1.2490 -4.2078 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0783 -0.9497 -3.0088 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1991 -0.7331 -2.2626 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1199 1.9634 -3.3477 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2426 -0.7516 -2.8668 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4611 0.4664 -4.6925 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5548 1.5794 -3.7584 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8668 -0.2357 -3.7736 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.4862 4.4435 0.6105 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.0973 5.3413 -0.1286 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.1421 3.9869 -1.7737 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.2704 2.7543 -2.3598 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.1815 2.2724 -0.7367 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.3540 1.3081 -2.4045 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5020 -2.1156 -0.6871 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9925 -4.4707 -0.1088 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4244 -3.9005 0.5197 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7816 -4.0599 1.6615 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5835 -2.2927 1.5473 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5193 -3.0923 1.0269 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4073 -4.5346 -0.1326 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1749 -4.2607 1.1957 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
7 8 1 0
8 9 1 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 1 0
12 14 1 0
14 15 1 0
15 16 1 0
15 17 1 0
17 18 1 0
18 19 2 0
18 20 1 0
20 21 1 0
21 22 1 0
22 23 1 0
23 24 1 0
24 25 1 0
25 26 1 0
26 27 1 0
25 28 1 0
28 29 1 0
28 30 1 0
30 31 1 0
30 32 1 0
32 33 1 0
32 34 1 0
34 35 1 0
34 36 1 0
36 37 1 0
36 38 1 0
38 39 1 0
39 40 1 0
40 41 2 0
40 42 1 0
42 43 2 0
43 44 1 0
44 45 1 0
44 46 1 0
46 47 1 0
46 48 1 0
48 49 1 0
49 50 1 0
49 51 1 0
51 52 1 0
52 53 1 0
53 54 1 0
54 55 1 0
54 56 1 0
56 57 1 0
57 58 1 0
58 59 1 0
58 60 1 0
60 61 1 0
61 62 1 0
62 63 1 0
63 64 1 0
64 65 1 0
65 66 1 0
64 67 1 0
67 68 1 0
67 69 1 0
69 70 1 0
69 71 1 0
71 72 1 0
60 73 1 0
73 74 2 0
73 75 1 0
75 76 1 1
75 77 1 0
77 78 1 0
78 79 1 0
79 80 1 0
80 81 1 0
80 82 1 0
82 83 1 0
83 84 1 0
83 85 1 0
85 86 1 0
86 87 1 0
86 88 1 0
88 89 1 0
89 90 1 0
90 91 1 0
91 92 1 0
91 93 1 0
93 94 1 0
94 95 1 0
95 96 1 0
96 97 1 0
78 98 1 0
98 99 1 0
99100 1 0
99101 1 0
101102 1 0
23103 1 0
103104 1 0
104105 1 0
104106 1 0
106107 1 0
107108 1 0
106 21 1 0
96 38 1 0
71 62 1 0
101 75 1 0
95 93 1 0
1109 1 0
1110 1 0
1111 1 0
2112 1 0
2113 1 0
3114 1 0
3115 1 0
4116 1 0
4117 1 0
5118 1 0
5119 1 0
6120 1 0
6121 1 0
7122 1 0
7123 1 0
8124 1 0
8125 1 0
9126 1 0
9127 1 0
10128 1 0
11129 1 0
12130 1 1
13131 1 0
14132 1 0
14133 1 0
15134 1 6
16135 1 0
17136 1 0
17137 1 0
21138 1 6
22139 1 0
22140 1 0
23141 1 6
25142 1 6
26143 1 0
26144 1 0
27145 1 0
27146 1 0
27147 1 0
28148 1 1
29149 1 0
29150 1 0
29151 1 0
30152 1 1
31153 1 0
32154 1 1
33155 1 0
33156 1 0
33157 1 0
34158 1 6
35159 1 0
36160 1 6
37161 1 0
37162 1 0
37163 1 0
38164 1 1
42165 1 0
43166 1 0
44167 1 6
45168 1 0
45169 1 0
45170 1 0
46171 1 6
47172 1 0
48173 1 0
48174 1 0
49175 1 1
50176 1 0
51177 1 0
51178 1 0
52179 1 0
52180 1 0
53181 1 0
53182 1 0
54183 1 1
55184 1 0
56185 1 0
56186 1 0
57187 1 0
57188 1 0
58189 1 6
59190 1 0
59191 1 0
59192 1 0
60193 1 6
62194 1 6
64195 1 6
65196 1 0
65197 1 0
66198 1 0
67199 1 6
68200 1 0
69201 1 1
70202 1 0
71203 1 1
72204 1 0
76205 1 0
78206 1 1
79207 1 0
79208 1 0
80209 1 1
81210 1 0
82211 1 0
82212 1 0
83213 1 6
84214 1 0
85215 1 0
85216 1 0
86217 1 6
87218 1 0
88219 1 0
88220 1 0
89221 1 0
89222 1 0
90223 1 0
90224 1 0
91225 1 6
92226 1 0
93227 1 1
95228 1 6
96229 1 6
97230 1 0
97231 1 0
97232 1 0
98233 1 0
98234 1 0
99235 1 6
100236 1 0
101237 1 1
102238 1 0
104239 1 6
105240 1 0
105241 1 0
105242 1 0
106243 1 1
108244 1 0
108245 1 0
108246 1 0
M END
3D SDF for NP0023036 (Liposidolide A)
Mrv1652307042108133D
246250 0 0 0 0 999 V2000
22.3398 1.9691 0.6960 C 0 0 0 0 0 0 0 0 0 0 0 0
22.6684 1.0799 -0.4689 C 0 0 1 0 0 0 0 0 0 0 0 0
21.8091 -0.1641 -0.5435 C 0 0 2 0 0 0 0 0 0 0 0 0
21.9764 -0.9918 0.6872 C 0 0 1 0 0 0 0 0 0 0 0 0
21.1744 -2.2120 0.7554 C 0 0 2 0 0 0 0 0 0 0 0 0
19.7559 -2.2087 1.0438 C 0 0 1 0 0 0 0 0 0 0 0 0
18.7216 -1.4011 0.4143 C 0 0 1 0 0 0 0 0 0 0 0 0
18.6246 0.0452 0.7774 C 0 0 2 0 0 0 0 0 0 0 0 0
17.5452 0.7086 -0.0423 C 0 0 2 0 0 0 0 0 0 0 0 0
16.2476 0.0589 0.2308 C 0 0 0 0 0 0 0 0 0 0 0 0
15.5685 -0.5269 -0.7462 C 0 0 0 0 0 0 0 0 0 0 0 0
14.2614 -1.1633 -0.4029 C 0 0 2 0 0 0 0 0 0 0 0 0
14.4581 -2.3659 0.2697 O 0 0 0 0 0 0 0 0 0 0 0 0
13.4639 -1.4272 -1.6783 C 0 0 2 0 0 0 0 0 0 0 0 0
13.2271 -0.1243 -2.4170 C 0 0 1 0 0 0 0 0 0 0 0 0
12.5004 -0.4438 -3.5596 O 0 0 0 0 0 0 0 0 0 0 0 0
12.4910 0.8930 -1.6252 C 0 0 2 0 0 0 0 0 0 0 0 0
11.1475 0.4040 -1.2553 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1691 0.5634 -2.0760 O 0 0 0 0 0 0 0 0 0 0 0 0
10.8619 -0.2287 -0.0528 O 0 0 0 0 0 0 0 0 0 0 0 0
9.5631 -0.6355 0.2038 C 0 0 2 0 0 0 0 0 0 0 0 0
8.9152 0.0918 1.3949 C 0 0 2 0 0 0 0 0 0 0 0 0
7.4184 -0.2090 1.2252 C 0 0 2 0 0 0 0 0 0 0 0 0
6.6394 0.4093 2.1861 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8254 1.4619 1.5401 C 0 0 2 0 0 0 0 0 0 0 0 0
6.4348 2.6675 2.2082 C 0 0 1 0 0 0 0 0 0 0 0 0
5.9780 4.0182 1.8056 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4440 1.0720 1.9572 C 0 0 2 0 0 0 0 0 0 0 0 0
4.1341 -0.3654 1.5071 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3042 1.9567 1.7812 C 0 0 1 0 0 0 0 0 0 0 0 0
3.4449 3.1432 2.4617 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6184 2.1644 0.4800 C 0 0 1 0 0 0 0 0 0 0 0 0
3.4039 2.6886 -0.6534 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6068 1.0903 0.1401 C 0 0 1 0 0 0 0 0 0 0 0 0
0.6089 1.0265 1.1371 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8415 1.3388 -1.1439 C 0 0 2 0 0 0 0 0 0 0 0 0
0.0929 2.6303 -1.1007 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1357 0.1534 -1.2707 C 0 0 2 0 0 0 0 0 0 0 0 0
0.6282 -0.9807 -1.3023 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5616 -2.2059 -0.7327 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7911 -3.1854 -1.5467 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2800 -2.5807 0.6302 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7507 -2.0557 1.2785 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1102 -2.0136 0.7140 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.8657 -0.9072 1.4622 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8400 -3.3280 0.8739 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.9807 -4.2520 1.5151 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1312 -3.2315 1.6195 C 0 0 2 0 0 0 0 0 0 0 0 0
-5.1048 -4.2893 1.1449 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.3435 -5.2653 0.5110 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.0809 -3.7571 0.1378 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.0171 -2.7305 0.6765 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.5120 -1.8853 -0.4991 C 0 0 1 0 0 0 0 0 0 0 0 0
-8.7186 -2.5217 -1.1425 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.3321 -3.0372 -2.3756 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.8136 -1.5075 -1.4089 C 0 0 2 0 0 0 0 0 0 0 0 0
-10.4346 -1.0234 -0.1055 C 0 0 2 0 0 0 0 0 0 0 0 0
-11.6759 -1.7816 0.2428 C 0 0 1 0 0 0 0 0 0 0 0 0
-11.5090 -2.6005 1.5127 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.9063 -0.8540 0.3884 C 0 0 1 0 0 0 0 0 0 0 0 0
-13.8366 -1.6680 1.0421 O 0 0 0 0 0 0 0 0 0 0 0 0
-14.8965 -2.0764 0.2415 C 0 0 1 0 0 0 0 0 0 0 0 0
-14.8565 -3.4431 -0.0069 O 0 0 0 0 0 0 0 0 0 0 0 0
-15.5947 -3.7843 -1.0942 C 0 0 2 0 0 0 0 0 0 0 0 0
-15.0306 -3.3400 -2.4260 C 0 0 2 0 0 0 0 0 0 0 0 0
-15.8792 -3.7781 -3.4759 O 0 0 0 0 0 0 0 0 0 0 0 0
-17.0187 -3.3200 -0.9105 C 0 0 1 0 0 0 0 0 0 0 0 0
-17.8593 -4.4137 -1.0070 O 0 0 0 0 0 0 0 0 0 0 0 0
-17.2230 -2.7270 0.4701 C 0 0 2 0 0 0 0 0 0 0 0 0
-18.5052 -2.2412 0.5786 O 0 0 0 0 0 0 0 0 0 0 0 0
-16.2292 -1.5948 0.7039 C 0 0 2 0 0 0 0 0 0 0 0 0
-16.6662 -0.4567 0.0161 O 0 0 0 0 0 0 0 0 0 0 0 0
-12.5747 0.3535 1.1238 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.1359 0.1508 2.2823 O 0 0 0 0 0 0 0 0 0 0 0 0
-12.6646 1.7712 0.7433 C 0 0 1 0 0 0 0 0 0 0 0 0
-13.6193 2.3797 1.6015 O 0 0 0 0 0 0 0 0 0 0 0 0
-11.4509 2.3490 1.1291 O 0 0 0 0 0 0 0 0 0 0 0 0
-11.4860 3.7123 1.1874 C 0 0 1 0 0 0 0 0 0 0 0 0
-10.1157 4.2441 0.8426 C 0 0 1 0 0 0 0 0 0 0 0 0
-9.5545 5.1215 1.9355 C 0 0 2 0 0 0 0 0 0 0 0 0
-10.4791 6.0450 2.3986 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.3184 5.8026 1.3856 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.1466 4.8499 1.3387 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.5046 4.9218 2.5703 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.2042 5.2081 0.2315 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.0900 4.1637 -0.8320 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.2909 3.9095 -1.4683 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.4867 2.8816 -0.3231 C 0 0 2 0 0 0 0 0 0 0 0 0
-5.6539 1.7504 -1.2893 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.1566 2.0420 -2.6668 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.4209 0.8714 -3.2856 C 0 0 2 0 0 0 0 0 0 0 0 0
-5.2768 -0.1752 -3.5894 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3180 0.3548 -2.3939 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.8139 1.1925 -1.4320 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0323 1.1767 -2.5658 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.8216 0.2776 -2.6262 C 0 0 1 0 0 0 0 0 0 0 0 0
0.1202 0.5851 -3.7426 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.4647 4.3296 0.2126 C 0 0 1 0 0 0 0 0 0 0 0 0
-12.4882 3.4808 -1.0293 C 0 0 1 0 0 0 0 0 0 0 0 0
-11.1985 3.3359 -1.5373 O 0 0 0 0 0 0 0 0 0 0 0 0
-13.0634 2.1088 -0.6331 C 0 0 1 0 0 0 0 0 0 0 0 0
-12.7586 1.1823 -1.6188 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2212 -1.5664 1.2621 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8534 -2.3290 0.3306 C 0 0 2 0 0 0 0 0 0 0 0 0
7.5189 -3.7818 0.6149 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3706 -2.1091 0.4689 C 0 0 1 0 0 0 0 0 0 0 0 0
10.0738 -2.9323 -0.3734 O 0 0 0 0 0 0 0 0 0 0 0 0
10.8607 -3.7719 0.4441 C 0 0 0 0 0 0 0 0 0 0 0 0
22.9249 2.9159 0.6212 H 0 0 0 0 0 0 0 0 0 0 0 0
22.6930 1.4849 1.6525 H 0 0 0 0 0 0 0 0 0 0 0 0
21.2721 2.1937 0.8070 H 0 0 0 0 0 0 0 0 0 0 0 0
22.4748 1.6763 -1.4081 H 0 0 0 0 0 0 0 0 0 0 0 0
23.7237 0.7534 -0.4280 H 0 0 0 0 0 0 0 0 0 0 0 0
22.3280 -0.8013 -1.3683 H 0 0 0 0 0 0 0 0 0 0 0 0
20.8160 -0.0175 -0.9234 H 0 0 0 0 0 0 0 0 0 0 0 0
23.0753 -1.2418 0.7926 H 0 0 0 0 0 0 0 0 0 0 0 0
21.7836 -0.3157 1.5818 H 0 0 0 0 0 0 0 0 0 0 0 0
21.6795 -2.9765 1.4772 H 0 0 0 0 0 0 0 0 0 0 0 0
21.2748 -2.7549 -0.2788 H 0 0 0 0 0 0 0 0 0 0 0 0
19.3816 -3.3075 0.9593 H 0 0 0 0 0 0 0 0 0 0 0 0
19.6318 -2.0600 2.1971 H 0 0 0 0 0 0 0 0 0 0 0 0
18.8941 -1.4087 -0.7157 H 0 0 0 0 0 0 0 0 0 0 0 0
17.6904 -1.8429 0.5966 H 0 0 0 0 0 0 0 0 0 0 0 0
19.5347 0.5873 0.7780 H 0 0 0 0 0 0 0 0 0 0 0 0
18.2034 0.1171 1.8661 H 0 0 0 0 0 0 0 0 0 0 0 0
17.8109 0.7237 -1.1054 H 0 0 0 0 0 0 0 0 0 0 0 0
17.5070 1.7851 0.2929 H 0 0 0 0 0 0 0 0 0 0 0 0
15.8407 0.0547 1.2310 H 0 0 0 0 0 0 0 0 0 0 0 0
15.9764 -0.5258 -1.7546 H 0 0 0 0 0 0 0 0 0 0 0 0
13.6701 -0.4702 0.2100 H 0 0 0 0 0 0 0 0 0 0 0 0
14.2112 -3.1207 -0.3139 H 0 0 0 0 0 0 0 0 0 0 0 0
12.5005 -1.8892 -1.4675 H 0 0 0 0 0 0 0 0 0 0 0 0
14.0534 -2.0848 -2.3414 H 0 0 0 0 0 0 0 0 0 0 0 0
14.1918 0.3033 -2.7863 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8393 -1.1619 -3.3851 H 0 0 0 0 0 0 0 0 0 0 0 0
12.3430 1.7915 -2.2638 H 0 0 0 0 0 0 0 0 0 0 0 0
13.0379 1.2242 -0.7120 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8968 -0.3581 -0.6600 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0905 1.1491 1.2045 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2872 -0.2819 2.3433 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1330 0.2040 0.2370 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0591 1.4735 0.4941 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3068 2.5861 3.3356 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5555 2.6493 2.0624 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8900 4.6609 1.4802 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3769 4.0226 0.8912 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5426 4.6439 2.6228 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5247 0.9382 3.0947 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3071 -0.5666 0.4733 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1034 -0.6104 1.9023 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7901 -1.0179 2.1264 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4510 1.4324 2.4107 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9211 3.8895 2.0734 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9199 3.0618 0.7308 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7794 2.6713 -1.5744 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3186 2.1347 -0.9313 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5984 3.8050 -0.5335 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0813 0.0859 -0.0339 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8775 0.3130 1.7670 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5355 1.3231 -1.9833 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7404 2.6000 -0.3342 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7013 3.5011 -0.7839 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3852 2.9182 -2.0341 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8408 0.2475 -0.4570 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9285 -3.3182 1.1655 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5554 -1.6459 2.2867 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1661 -1.7332 -0.3446 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0809 -1.1766 2.5060 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1829 -0.0092 1.5065 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7405 -0.5546 0.8881 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0311 -3.7781 -0.1227 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4537 -4.7579 0.8516 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5813 -2.2330 1.6560 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8981 -3.5043 2.6916 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6537 -4.7201 1.9813 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8996 -5.9629 0.0861 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7015 -4.6301 -0.1998 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5890 -3.3690 -0.7780 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9349 -3.1807 1.1433 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5929 -2.0389 1.4113 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7266 -0.8575 -0.1353 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6574 -1.8013 -1.2000 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1638 -3.3416 -0.5647 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9479 -2.3208 -2.9307 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.5402 -1.9707 -2.0823 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3934 -0.6303 -1.9218 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.7017 0.0395 -0.2589 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6279 -1.1432 0.6546 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.8680 -2.5097 -0.5719 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.4970 -2.9504 1.8200 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.9663 -2.0434 2.3018 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.9019 -3.4778 1.2500 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.2781 -0.7408 -0.6365 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.7033 -1.5805 -0.7460 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.5652 -4.9218 -1.1491 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.0432 -3.7884 -2.6303 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.9844 -2.2466 -2.5558 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.0646 -4.7478 -3.3654 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.2235 -2.5355 -1.6459 H 0 0 0 0 0 0 0 0 0 0 0 0
-18.7379 -4.1750 -1.3945 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.9931 -3.4904 1.2394 H 0 0 0 0 0 0 0 0 0 0 0 0
-18.6921 -1.6557 -0.2019 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.2789 -1.3559 1.7841 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.9511 -0.6501 -0.9073 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.3228 1.7381 1.8621 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.7975 4.0963 2.2033 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.4166 3.3887 0.7529 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.1251 4.8604 -0.0889 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2403 4.4902 2.7940 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.0017 6.6621 3.0046 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5863 6.1285 0.3386 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0070 6.6659 2.0007 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4616 3.7977 1.1959 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5665 4.0872 3.0888 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5273 6.1526 -0.2582 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1912 5.3897 0.6370 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3646 4.5695 -1.5950 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8279 3.1964 -1.0757 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9538 2.5539 0.6388 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4063 2.9863 -0.0904 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0968 0.8680 -0.8697 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7289 1.4080 -1.3063 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0360 2.2404 -3.3115 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5078 2.9368 -2.7113 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9316 1.2490 -4.2078 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0783 -0.9497 -3.0088 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1991 -0.7331 -2.2626 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1199 1.9634 -3.3477 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2426 -0.7516 -2.8668 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4611 0.4664 -4.6925 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5548 1.5794 -3.7584 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8668 -0.2357 -3.7736 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.4862 4.4435 0.6105 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.0973 5.3413 -0.1286 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.1421 3.9869 -1.7737 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.2704 2.7543 -2.3598 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.1815 2.2724 -0.7367 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.3540 1.3081 -2.4045 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5020 -2.1156 -0.6871 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9925 -4.4707 -0.1088 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4244 -3.9005 0.5197 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7816 -4.0599 1.6615 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5835 -2.2927 1.5473 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5193 -3.0923 1.0269 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4073 -4.5346 -0.1326 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1749 -4.2607 1.1957 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
12 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
15 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
18 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
25 28 1 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
30 31 1 0 0 0 0
30 32 1 0 0 0 0
32 33 1 0 0 0 0
32 34 1 0 0 0 0
34 35 1 0 0 0 0
34 36 1 0 0 0 0
36 37 1 0 0 0 0
36 38 1 0 0 0 0
38 39 1 0 0 0 0
39 40 1 0 0 0 0
40 41 2 0 0 0 0
40 42 1 0 0 0 0
42 43 2 0 0 0 0
43 44 1 0 0 0 0
44 45 1 0 0 0 0
44 46 1 0 0 0 0
46 47 1 0 0 0 0
46 48 1 0 0 0 0
48 49 1 0 0 0 0
49 50 1 0 0 0 0
49 51 1 0 0 0 0
51 52 1 0 0 0 0
52 53 1 0 0 0 0
53 54 1 0 0 0 0
54 55 1 0 0 0 0
54 56 1 0 0 0 0
56 57 1 0 0 0 0
57 58 1 0 0 0 0
58 59 1 0 0 0 0
58 60 1 0 0 0 0
60 61 1 0 0 0 0
61 62 1 0 0 0 0
62 63 1 0 0 0 0
63 64 1 0 0 0 0
64 65 1 0 0 0 0
65 66 1 0 0 0 0
64 67 1 0 0 0 0
67 68 1 0 0 0 0
67 69 1 0 0 0 0
69 70 1 0 0 0 0
69 71 1 0 0 0 0
71 72 1 0 0 0 0
60 73 1 0 0 0 0
73 74 2 0 0 0 0
73 75 1 0 0 0 0
75 76 1 1 0 0 0
75 77 1 0 0 0 0
77 78 1 0 0 0 0
78 79 1 0 0 0 0
79 80 1 0 0 0 0
80 81 1 0 0 0 0
80 82 1 0 0 0 0
82 83 1 0 0 0 0
83 84 1 0 0 0 0
83 85 1 0 0 0 0
85 86 1 0 0 0 0
86 87 1 0 0 0 0
86 88 1 0 0 0 0
88 89 1 0 0 0 0
89 90 1 0 0 0 0
90 91 1 0 0 0 0
91 92 1 0 0 0 0
91 93 1 0 0 0 0
93 94 1 0 0 0 0
94 95 1 0 0 0 0
95 96 1 0 0 0 0
96 97 1 0 0 0 0
78 98 1 0 0 0 0
98 99 1 0 0 0 0
99100 1 0 0 0 0
99101 1 0 0 0 0
101102 1 0 0 0 0
23103 1 0 0 0 0
103104 1 0 0 0 0
104105 1 0 0 0 0
104106 1 0 0 0 0
106107 1 0 0 0 0
107108 1 0 0 0 0
106 21 1 0 0 0 0
96 38 1 0 0 0 0
71 62 1 0 0 0 0
101 75 1 0 0 0 0
95 93 1 0 0 0 0
1109 1 0 0 0 0
1110 1 0 0 0 0
1111 1 0 0 0 0
2112 1 0 0 0 0
2113 1 0 0 0 0
3114 1 0 0 0 0
3115 1 0 0 0 0
4116 1 0 0 0 0
4117 1 0 0 0 0
5118 1 0 0 0 0
5119 1 0 0 0 0
6120 1 0 0 0 0
6121 1 0 0 0 0
7122 1 0 0 0 0
7123 1 0 0 0 0
8124 1 0 0 0 0
8125 1 0 0 0 0
9126 1 0 0 0 0
9127 1 0 0 0 0
10128 1 0 0 0 0
11129 1 0 0 0 0
12130 1 1 0 0 0
13131 1 0 0 0 0
14132 1 0 0 0 0
14133 1 0 0 0 0
15134 1 6 0 0 0
16135 1 0 0 0 0
17136 1 0 0 0 0
17137 1 0 0 0 0
21138 1 6 0 0 0
22139 1 0 0 0 0
22140 1 0 0 0 0
23141 1 6 0 0 0
25142 1 6 0 0 0
26143 1 0 0 0 0
26144 1 0 0 0 0
27145 1 0 0 0 0
27146 1 0 0 0 0
27147 1 0 0 0 0
28148 1 1 0 0 0
29149 1 0 0 0 0
29150 1 0 0 0 0
29151 1 0 0 0 0
30152 1 1 0 0 0
31153 1 0 0 0 0
32154 1 1 0 0 0
33155 1 0 0 0 0
33156 1 0 0 0 0
33157 1 0 0 0 0
34158 1 6 0 0 0
35159 1 0 0 0 0
36160 1 6 0 0 0
37161 1 0 0 0 0
37162 1 0 0 0 0
37163 1 0 0 0 0
38164 1 1 0 0 0
42165 1 0 0 0 0
43166 1 0 0 0 0
44167 1 6 0 0 0
45168 1 0 0 0 0
45169 1 0 0 0 0
45170 1 0 0 0 0
46171 1 6 0 0 0
47172 1 0 0 0 0
48173 1 0 0 0 0
48174 1 0 0 0 0
49175 1 1 0 0 0
50176 1 0 0 0 0
51177 1 0 0 0 0
51178 1 0 0 0 0
52179 1 0 0 0 0
52180 1 0 0 0 0
53181 1 0 0 0 0
53182 1 0 0 0 0
54183 1 1 0 0 0
55184 1 0 0 0 0
56185 1 0 0 0 0
56186 1 0 0 0 0
57187 1 0 0 0 0
57188 1 0 0 0 0
58189 1 6 0 0 0
59190 1 0 0 0 0
59191 1 0 0 0 0
59192 1 0 0 0 0
60193 1 6 0 0 0
62194 1 6 0 0 0
64195 1 6 0 0 0
65196 1 0 0 0 0
65197 1 0 0 0 0
66198 1 0 0 0 0
67199 1 6 0 0 0
68200 1 0 0 0 0
69201 1 1 0 0 0
70202 1 0 0 0 0
71203 1 1 0 0 0
72204 1 0 0 0 0
76205 1 0 0 0 0
78206 1 1 0 0 0
79207 1 0 0 0 0
79208 1 0 0 0 0
80209 1 1 0 0 0
81210 1 0 0 0 0
82211 1 0 0 0 0
82212 1 0 0 0 0
83213 1 6 0 0 0
84214 1 0 0 0 0
85215 1 0 0 0 0
85216 1 0 0 0 0
86217 1 6 0 0 0
87218 1 0 0 0 0
88219 1 0 0 0 0
88220 1 0 0 0 0
89221 1 0 0 0 0
89222 1 0 0 0 0
90223 1 0 0 0 0
90224 1 0 0 0 0
91225 1 6 0 0 0
92226 1 0 0 0 0
93227 1 1 0 0 0
95228 1 6 0 0 0
96229 1 6 0 0 0
97230 1 0 0 0 0
97231 1 0 0 0 0
97232 1 0 0 0 0
98233 1 0 0 0 0
98234 1 0 0 0 0
99235 1 6 0 0 0
100236 1 0 0 0 0
101237 1 1 0 0 0
102238 1 0 0 0 0
104239 1 6 0 0 0
105240 1 0 0 0 0
105241 1 0 0 0 0
105242 1 0 0 0 0
106243 1 1 0 0 0
108244 1 0 0 0 0
108245 1 0 0 0 0
108246 1 0 0 0 0
M END
> <DATABASE_ID>
NP0023036
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H]OC([H])([H])[C@@]1([H])O[C@]([H])(O[C@@]2([H])C(=O)[C@@]3(O[H])O[C@]([H])(C([H])([H])[C@@]([H])(O[H])[C@@]3([H])O[H])C([H])([H])[C@]([H])(O[H])C([H])([H])[C@]([H])(O[H])C([H])([H])[C@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])[C@]([H])(O[H])[C@]3([H])O[C@@]3([H])[C@@]([H])(C([H])([H])[H])[C@@]([H])(OC(=O)\C([H])=C([H])/[C@]([H])(C([H])([H])[H])[C@@]([H])(O[H])C([H])([H])[C@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])[C@]([H])(O[H])C([H])([H])C([H])([H])[C@@]2([H])C([H])([H])[H])[C@@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(C([H])([H])[H])[C@]([H])(O[C@]2([H])O[C@]([H])(C([H])([H])[H])[C@@]([H])(OC([H])([H])[H])[C@]([H])(OC(=O)C([H])([H])[C@]([H])(O[H])C([H])([H])[C@@]([H])(O[H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C2([H])[H])C([H])([H])C([H])([H])[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]
> <INCHI_IDENTIFIER>
InChI=1S/C78H138O30/c1-11-13-14-15-16-17-18-19-20-23-49(81)33-54(86)37-63(91)102-60-39-64(101-47(9)73(60)100-10)103-59(12-2)43(5)65(92)44(6)66(93)45(7)71-46(8)72-74(106-72)56(87)27-22-26-50(82)32-52(84)34-53(85)35-55-38-58(89)75(97)78(99,108-55)76(98)70(107-77-69(96)68(95)67(94)61(40-79)104-77)42(4)28-30-48(80)24-21-25-51(83)36-57(88)41(3)29-31-62(90)105-71/h20,23,29,31,41-61,64-75,77,79-89,92-97,99H,11-19,21-22,24-28,30,32-40H2,1-10H3/b23-20+,31-29-/t41-,42+,43-,44+,45-,46-,47+,48-,49-,50+,51+,52+,53+,54+,55-,56-,57-,58+,59+,60+,61+,64-,65+,66+,67+,68-,69-,70+,71-,72-,73+,74-,75+,77+,78-/m0/s1
> <INCHI_KEY>
PKZZAHCVPDDHNO-HJGCNKCBSA-N
> <FORMULA>
C78H138O30
> <MOLECULAR_WEIGHT>
1555.932
> <EXACT_MASS>
1554.927293044
> <JCHEM_ACCEPTOR_COUNT>
28
> <JCHEM_ATOM_COUNT>
246
> <JCHEM_AVERAGE_POLARIZABILITY>
170.76704997430357
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
18
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
(2R,3R,4R,6R)-6-{[(3R,4R,5S,6R,7R,8S)-8-[(1S,3R,5R,7R,11S,12S,14S,15S,16S,19Z,21S,22S,24R,28S,31R,32R,34S,35R,36R)-3,5,7,11,22,24,28,34,35,36-decahydroxy-15,21,31-trimethyl-18,33-dioxo-32-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-13,17,38-trioxatricyclo[32.3.1.0^{12,14}]octatriacont-19-en-16-yl]-5,7-dihydroxy-4,6-dimethylnonan-3-yl]oxy}-3-methoxy-2-methyloxan-4-yl (3R,5R,6E)-3,5-dihydroxyhexadec-6-enoate
> <JCHEM_LOGP>
2.645703866000001
> <JCHEM_MDDR_LIKE_RULE>
1
> <JCHEM_NUMBER_OF_RINGS>
5
> <JCHEM_PHYSIOLOGICAL_CHARGE>
0
> <JCHEM_PKA>
12.130428235510196
> <JCHEM_PKA_STRONGEST_ACIDIC>
9.271803293613718
> <JCHEM_PKA_STRONGEST_BASIC>
-2.9964391503066867
> <JCHEM_POLAR_SURFACE_AREA>
501.72000000000014
> <JCHEM_REFRACTIVITY>
392.9748999999999
> <JCHEM_ROTATABLE_BOND_COUNT>
28
> <JCHEM_RULE_OF_FIVE>
0
> <JCHEM_TRADITIONAL_IUPAC>
(2R,3R,4R,6R)-6-{[(3R,4R,5S,6R,7R,8S)-8-[(1S,3R,5R,7R,11S,12S,14S,15S,16S,19Z,21S,22S,24R,28S,31R,32R,34S,35R,36R)-3,5,7,11,22,24,28,34,35,36-decahydroxy-15,21,31-trimethyl-18,33-dioxo-32-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-13,17,38-trioxatricyclo[32.3.1.0^{12,14}]octatriacont-19-en-16-yl]-5,7-dihydroxy-4,6-dimethylnonan-3-yl]oxy}-3-methoxy-2-methyloxan-4-yl (3R,5R,6E)-3,5-dihydroxyhexadec-6-enoate
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0023036 (Liposidolide A)
RDKit 3D
246250 0 0 0 0 0 0 0 0999 V2000
22.3398 1.9691 0.6960 C 0 0 0 0 0 0 0 0 0 0 0 0
22.6684 1.0799 -0.4689 C 0 0 0 0 0 0 0 0 0 0 0 0
21.8091 -0.1641 -0.5435 C 0 0 0 0 0 0 0 0 0 0 0 0
21.9764 -0.9918 0.6872 C 0 0 0 0 0 0 0 0 0 0 0 0
21.1744 -2.2120 0.7554 C 0 0 0 0 0 0 0 0 0 0 0 0
19.7559 -2.2087 1.0438 C 0 0 0 0 0 0 0 0 0 0 0 0
18.7216 -1.4011 0.4143 C 0 0 0 0 0 0 0 0 0 0 0 0
18.6246 0.0452 0.7774 C 0 0 0 0 0 0 0 0 0 0 0 0
17.5452 0.7086 -0.0423 C 0 0 0 0 0 0 0 0 0 0 0 0
16.2476 0.0589 0.2308 C 0 0 0 0 0 0 0 0 0 0 0 0
15.5685 -0.5269 -0.7462 C 0 0 0 0 0 0 0 0 0 0 0 0
14.2614 -1.1633 -0.4029 C 0 0 2 0 0 0 0 0 0 0 0 0
14.4581 -2.3659 0.2697 O 0 0 0 0 0 0 0 0 0 0 0 0
13.4639 -1.4272 -1.6783 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2271 -0.1243 -2.4170 C 0 0 1 0 0 0 0 0 0 0 0 0
12.5004 -0.4438 -3.5596 O 0 0 0 0 0 0 0 0 0 0 0 0
12.4910 0.8930 -1.6252 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1475 0.4040 -1.2553 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1691 0.5634 -2.0760 O 0 0 0 0 0 0 0 0 0 0 0 0
10.8619 -0.2287 -0.0528 O 0 0 0 0 0 0 0 0 0 0 0 0
9.5631 -0.6355 0.2038 C 0 0 2 0 0 0 0 0 0 0 0 0
8.9152 0.0918 1.3949 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4184 -0.2090 1.2252 C 0 0 2 0 0 0 0 0 0 0 0 0
6.6394 0.4093 2.1861 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8254 1.4619 1.5401 C 0 0 2 0 0 0 0 0 0 0 0 0
6.4348 2.6675 2.2082 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9780 4.0182 1.8056 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4440 1.0720 1.9572 C 0 0 2 0 0 0 0 0 0 0 0 0
4.1341 -0.3654 1.5071 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3042 1.9567 1.7812 C 0 0 1 0 0 0 0 0 0 0 0 0
3.4449 3.1432 2.4617 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6184 2.1644 0.4800 C 0 0 1 0 0 0 0 0 0 0 0 0
3.4039 2.6886 -0.6534 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6068 1.0903 0.1401 C 0 0 1 0 0 0 0 0 0 0 0 0
0.6089 1.0265 1.1371 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8415 1.3388 -1.1439 C 0 0 2 0 0 0 0 0 0 0 0 0
0.0929 2.6303 -1.1007 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1357 0.1534 -1.2707 C 0 0 2 0 0 0 0 0 0 0 0 0
0.6282 -0.9807 -1.3023 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5616 -2.2059 -0.7327 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7911 -3.1854 -1.5467 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2800 -2.5807 0.6302 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7507 -2.0557 1.2785 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1102 -2.0136 0.7140 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.8657 -0.9072 1.4622 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8400 -3.3280 0.8739 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.9807 -4.2520 1.5151 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1312 -3.2315 1.6195 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1048 -4.2893 1.1449 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.3435 -5.2653 0.5110 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.0809 -3.7571 0.1378 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0171 -2.7305 0.6765 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5120 -1.8853 -0.4991 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.7186 -2.5217 -1.1425 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.3321 -3.0372 -2.3756 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.8136 -1.5075 -1.4089 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.4346 -1.0234 -0.1055 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.6759 -1.7816 0.2428 C 0 0 1 0 0 0 0 0 0 0 0 0
-11.5090 -2.6005 1.5127 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.9063 -0.8540 0.3884 C 0 0 1 0 0 0 0 0 0 0 0 0
-13.8366 -1.6680 1.0421 O 0 0 0 0 0 0 0 0 0 0 0 0
-14.8965 -2.0764 0.2415 C 0 0 1 0 0 0 0 0 0 0 0 0
-14.8565 -3.4431 -0.0069 O 0 0 0 0 0 0 0 0 0 0 0 0
-15.5947 -3.7843 -1.0942 C 0 0 2 0 0 0 0 0 0 0 0 0
-15.0306 -3.3400 -2.4260 C 0 0 0 0 0 0 0 0 0 0 0 0
-15.8792 -3.7781 -3.4759 O 0 0 0 0 0 0 0 0 0 0 0 0
-17.0187 -3.3200 -0.9105 C 0 0 1 0 0 0 0 0 0 0 0 0
-17.8593 -4.4137 -1.0070 O 0 0 0 0 0 0 0 0 0 0 0 0
-17.2230 -2.7270 0.4701 C 0 0 2 0 0 0 0 0 0 0 0 0
-18.5052 -2.2412 0.5786 O 0 0 0 0 0 0 0 0 0 0 0 0
-16.2292 -1.5948 0.7039 C 0 0 2 0 0 0 0 0 0 0 0 0
-16.6662 -0.4567 0.0161 O 0 0 0 0 0 0 0 0 0 0 0 0
-12.5747 0.3535 1.1238 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.1359 0.1508 2.2823 O 0 0 0 0 0 0 0 0 0 0 0 0
-12.6646 1.7712 0.7433 C 0 0 1 0 0 0 0 0 0 0 0 0
-13.6193 2.3797 1.6015 O 0 0 0 0 0 0 0 0 0 0 0 0
-11.4509 2.3490 1.1291 O 0 0 0 0 0 0 0 0 0 0 0 0
-11.4860 3.7123 1.1874 C 0 0 1 0 0 0 0 0 0 0 0 0
-10.1157 4.2441 0.8426 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.5545 5.1215 1.9355 C 0 0 2 0 0 0 0 0 0 0 0 0
-10.4791 6.0450 2.3986 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.3184 5.8026 1.3856 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1466 4.8499 1.3387 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.5046 4.9218 2.5703 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.2042 5.2081 0.2315 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0900 4.1637 -0.8320 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.2909 3.9095 -1.4683 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.4867 2.8816 -0.3231 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6539 1.7504 -1.2893 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1566 2.0420 -2.6668 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4209 0.8714 -3.2856 C 0 0 2 0 0 0 0 0 0 0 0 0
-5.2768 -0.1752 -3.5894 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3180 0.3548 -2.3939 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.8139 1.1925 -1.4320 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0323 1.1767 -2.5658 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.8216 0.2776 -2.6262 C 0 0 1 0 0 0 0 0 0 0 0 0
0.1202 0.5851 -3.7426 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.4647 4.3296 0.2126 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.4882 3.4808 -1.0293 C 0 0 1 0 0 0 0 0 0 0 0 0
-11.1985 3.3359 -1.5373 O 0 0 0 0 0 0 0 0 0 0 0 0
-13.0634 2.1088 -0.6331 C 0 0 1 0 0 0 0 0 0 0 0 0
-12.7586 1.1823 -1.6188 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2212 -1.5664 1.2621 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8534 -2.3290 0.3306 C 0 0 2 0 0 0 0 0 0 0 0 0
7.5189 -3.7818 0.6149 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3706 -2.1091 0.4689 C 0 0 1 0 0 0 0 0 0 0 0 0
10.0738 -2.9323 -0.3734 O 0 0 0 0 0 0 0 0 0 0 0 0
10.8607 -3.7719 0.4441 C 0 0 0 0 0 0 0 0 0 0 0 0
22.9249 2.9159 0.6212 H 0 0 0 0 0 0 0 0 0 0 0 0
22.6930 1.4849 1.6525 H 0 0 0 0 0 0 0 0 0 0 0 0
21.2721 2.1937 0.8070 H 0 0 0 0 0 0 0 0 0 0 0 0
22.4748 1.6763 -1.4081 H 0 0 0 0 0 0 0 0 0 0 0 0
23.7237 0.7534 -0.4280 H 0 0 0 0 0 0 0 0 0 0 0 0
22.3280 -0.8013 -1.3683 H 0 0 0 0 0 0 0 0 0 0 0 0
20.8160 -0.0175 -0.9234 H 0 0 0 0 0 0 0 0 0 0 0 0
23.0753 -1.2418 0.7926 H 0 0 0 0 0 0 0 0 0 0 0 0
21.7836 -0.3157 1.5818 H 0 0 0 0 0 0 0 0 0 0 0 0
21.6795 -2.9765 1.4772 H 0 0 0 0 0 0 0 0 0 0 0 0
21.2748 -2.7549 -0.2788 H 0 0 0 0 0 0 0 0 0 0 0 0
19.3816 -3.3075 0.9593 H 0 0 0 0 0 0 0 0 0 0 0 0
19.6318 -2.0600 2.1971 H 0 0 0 0 0 0 0 0 0 0 0 0
18.8941 -1.4087 -0.7157 H 0 0 0 0 0 0 0 0 0 0 0 0
17.6904 -1.8429 0.5966 H 0 0 0 0 0 0 0 0 0 0 0 0
19.5347 0.5873 0.7780 H 0 0 0 0 0 0 0 0 0 0 0 0
18.2034 0.1171 1.8661 H 0 0 0 0 0 0 0 0 0 0 0 0
17.8109 0.7237 -1.1054 H 0 0 0 0 0 0 0 0 0 0 0 0
17.5070 1.7851 0.2929 H 0 0 0 0 0 0 0 0 0 0 0 0
15.8407 0.0547 1.2310 H 0 0 0 0 0 0 0 0 0 0 0 0
15.9764 -0.5258 -1.7546 H 0 0 0 0 0 0 0 0 0 0 0 0
13.6701 -0.4702 0.2100 H 0 0 0 0 0 0 0 0 0 0 0 0
14.2112 -3.1207 -0.3139 H 0 0 0 0 0 0 0 0 0 0 0 0
12.5005 -1.8892 -1.4675 H 0 0 0 0 0 0 0 0 0 0 0 0
14.0534 -2.0848 -2.3414 H 0 0 0 0 0 0 0 0 0 0 0 0
14.1918 0.3033 -2.7863 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8393 -1.1619 -3.3851 H 0 0 0 0 0 0 0 0 0 0 0 0
12.3430 1.7915 -2.2638 H 0 0 0 0 0 0 0 0 0 0 0 0
13.0379 1.2242 -0.7120 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8968 -0.3581 -0.6600 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0905 1.1491 1.2045 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2872 -0.2819 2.3433 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1330 0.2040 0.2370 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0591 1.4735 0.4941 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3068 2.5861 3.3356 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5555 2.6493 2.0624 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8900 4.6609 1.4802 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3769 4.0226 0.8912 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5426 4.6439 2.6228 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5247 0.9382 3.0947 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3071 -0.5666 0.4733 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1034 -0.6104 1.9023 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7901 -1.0179 2.1264 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4510 1.4324 2.4107 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9211 3.8895 2.0734 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9199 3.0618 0.7308 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7794 2.6713 -1.5744 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3186 2.1347 -0.9313 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5984 3.8050 -0.5335 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0813 0.0859 -0.0339 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8775 0.3130 1.7670 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5355 1.3231 -1.9833 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7404 2.6000 -0.3342 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7013 3.5011 -0.7839 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3852 2.9182 -2.0341 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8408 0.2475 -0.4570 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9285 -3.3182 1.1655 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5554 -1.6459 2.2867 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1661 -1.7332 -0.3446 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0809 -1.1766 2.5060 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1829 -0.0092 1.5065 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7405 -0.5546 0.8881 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0311 -3.7781 -0.1227 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4537 -4.7579 0.8516 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5813 -2.2330 1.6560 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8981 -3.5043 2.6916 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6537 -4.7201 1.9813 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8996 -5.9629 0.0861 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7015 -4.6301 -0.1998 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5890 -3.3690 -0.7780 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9349 -3.1807 1.1433 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5929 -2.0389 1.4113 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7266 -0.8575 -0.1353 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6574 -1.8013 -1.2000 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1638 -3.3416 -0.5647 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9479 -2.3208 -2.9307 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.5402 -1.9707 -2.0823 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3934 -0.6303 -1.9218 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.7017 0.0395 -0.2589 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6279 -1.1432 0.6546 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.8680 -2.5097 -0.5719 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.4970 -2.9504 1.8200 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.9663 -2.0434 2.3018 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.9019 -3.4778 1.2500 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.2781 -0.7408 -0.6365 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.7033 -1.5805 -0.7460 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.5652 -4.9218 -1.1491 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.0432 -3.7884 -2.6303 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.9844 -2.2466 -2.5558 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.0646 -4.7478 -3.3654 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.2235 -2.5355 -1.6459 H 0 0 0 0 0 0 0 0 0 0 0 0
-18.7379 -4.1750 -1.3945 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.9931 -3.4904 1.2394 H 0 0 0 0 0 0 0 0 0 0 0 0
-18.6921 -1.6557 -0.2019 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.2789 -1.3559 1.7841 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.9511 -0.6501 -0.9073 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.3228 1.7381 1.8621 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.7975 4.0963 2.2033 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.4166 3.3887 0.7529 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.1251 4.8604 -0.0889 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2403 4.4902 2.7940 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.0017 6.6621 3.0046 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5863 6.1285 0.3386 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0070 6.6659 2.0007 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4616 3.7977 1.1959 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5665 4.0872 3.0888 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5273 6.1526 -0.2582 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1912 5.3897 0.6370 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3646 4.5695 -1.5950 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8279 3.1964 -1.0757 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9538 2.5539 0.6388 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4063 2.9863 -0.0904 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0968 0.8680 -0.8697 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7289 1.4080 -1.3063 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0360 2.2404 -3.3115 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5078 2.9368 -2.7113 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9316 1.2490 -4.2078 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0783 -0.9497 -3.0088 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1991 -0.7331 -2.2626 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1199 1.9634 -3.3477 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2426 -0.7516 -2.8668 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4611 0.4664 -4.6925 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5548 1.5794 -3.7584 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8668 -0.2357 -3.7736 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.4862 4.4435 0.6105 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.0973 5.3413 -0.1286 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.1421 3.9869 -1.7737 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.2704 2.7543 -2.3598 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.1815 2.2724 -0.7367 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.3540 1.3081 -2.4045 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5020 -2.1156 -0.6871 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9925 -4.4707 -0.1088 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4244 -3.9005 0.5197 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7816 -4.0599 1.6615 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5835 -2.2927 1.5473 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5193 -3.0923 1.0269 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4073 -4.5346 -0.1326 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1749 -4.2607 1.1957 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
7 8 1 0
8 9 1 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 1 0
12 14 1 0
14 15 1 0
15 16 1 0
15 17 1 0
17 18 1 0
18 19 2 0
18 20 1 0
20 21 1 0
21 22 1 0
22 23 1 0
23 24 1 0
24 25 1 0
25 26 1 0
26 27 1 0
25 28 1 0
28 29 1 0
28 30 1 0
30 31 1 0
30 32 1 0
32 33 1 0
32 34 1 0
34 35 1 0
34 36 1 0
36 37 1 0
36 38 1 0
38 39 1 0
39 40 1 0
40 41 2 0
40 42 1 0
42 43 2 0
43 44 1 0
44 45 1 0
44 46 1 0
46 47 1 0
46 48 1 0
48 49 1 0
49 50 1 0
49 51 1 0
51 52 1 0
52 53 1 0
53 54 1 0
54 55 1 0
54 56 1 0
56 57 1 0
57 58 1 0
58 59 1 0
58 60 1 0
60 61 1 0
61 62 1 0
62 63 1 0
63 64 1 0
64 65 1 0
65 66 1 0
64 67 1 0
67 68 1 0
67 69 1 0
69 70 1 0
69 71 1 0
71 72 1 0
60 73 1 0
73 74 2 0
73 75 1 0
75 76 1 1
75 77 1 0
77 78 1 0
78 79 1 0
79 80 1 0
80 81 1 0
80 82 1 0
82 83 1 0
83 84 1 0
83 85 1 0
85 86 1 0
86 87 1 0
86 88 1 0
88 89 1 0
89 90 1 0
90 91 1 0
91 92 1 0
91 93 1 0
93 94 1 0
94 95 1 0
95 96 1 0
96 97 1 0
78 98 1 0
98 99 1 0
99100 1 0
99101 1 0
101102 1 0
23103 1 0
103104 1 0
104105 1 0
104106 1 0
106107 1 0
107108 1 0
106 21 1 0
96 38 1 0
71 62 1 0
101 75 1 0
95 93 1 0
1109 1 0
1110 1 0
1111 1 0
2112 1 0
2113 1 0
3114 1 0
3115 1 0
4116 1 0
4117 1 0
5118 1 0
5119 1 0
6120 1 0
6121 1 0
7122 1 0
7123 1 0
8124 1 0
8125 1 0
9126 1 0
9127 1 0
10128 1 0
11129 1 0
12130 1 1
13131 1 0
14132 1 0
14133 1 0
15134 1 6
16135 1 0
17136 1 0
17137 1 0
21138 1 6
22139 1 0
22140 1 0
23141 1 6
25142 1 6
26143 1 0
26144 1 0
27145 1 0
27146 1 0
27147 1 0
28148 1 1
29149 1 0
29150 1 0
29151 1 0
30152 1 1
31153 1 0
32154 1 1
33155 1 0
33156 1 0
33157 1 0
34158 1 6
35159 1 0
36160 1 6
37161 1 0
37162 1 0
37163 1 0
38164 1 1
42165 1 0
43166 1 0
44167 1 6
45168 1 0
45169 1 0
45170 1 0
46171 1 6
47172 1 0
48173 1 0
48174 1 0
49175 1 1
50176 1 0
51177 1 0
51178 1 0
52179 1 0
52180 1 0
53181 1 0
53182 1 0
54183 1 1
55184 1 0
56185 1 0
56186 1 0
57187 1 0
57188 1 0
58189 1 6
59190 1 0
59191 1 0
59192 1 0
60193 1 6
62194 1 6
64195 1 6
65196 1 0
65197 1 0
66198 1 0
67199 1 6
68200 1 0
69201 1 1
70202 1 0
71203 1 1
72204 1 0
76205 1 0
78206 1 1
79207 1 0
79208 1 0
80209 1 1
81210 1 0
82211 1 0
82212 1 0
83213 1 6
84214 1 0
85215 1 0
85216 1 0
86217 1 6
87218 1 0
88219 1 0
88220 1 0
89221 1 0
89222 1 0
90223 1 0
90224 1 0
91225 1 6
92226 1 0
93227 1 1
95228 1 6
96229 1 6
97230 1 0
97231 1 0
97232 1 0
98233 1 0
98234 1 0
99235 1 6
100236 1 0
101237 1 1
102238 1 0
104239 1 6
105240 1 0
105241 1 0
105242 1 0
106243 1 1
108244 1 0
108245 1 0
108246 1 0
M END
PDB for NP0023036 (Liposidolide A)HEADER PROTEIN 04-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 04-JUL-21 0 HETATM 1 C UNK 0 22.340 1.969 0.696 0.00 0.00 C+0 HETATM 2 C UNK 0 22.668 1.080 -0.469 0.00 0.00 C+0 HETATM 3 C UNK 0 21.809 -0.164 -0.544 0.00 0.00 C+0 HETATM 4 C UNK 0 21.976 -0.992 0.687 0.00 0.00 C+0 HETATM 5 C UNK 0 21.174 -2.212 0.755 0.00 0.00 C+0 HETATM 6 C UNK 0 19.756 -2.209 1.044 0.00 0.00 C+0 HETATM 7 C UNK 0 18.722 -1.401 0.414 0.00 0.00 C+0 HETATM 8 C UNK 0 18.625 0.045 0.777 0.00 0.00 C+0 HETATM 9 C UNK 0 17.545 0.709 -0.042 0.00 0.00 C+0 HETATM 10 C UNK 0 16.248 0.059 0.231 0.00 0.00 C+0 HETATM 11 C UNK 0 15.569 -0.527 -0.746 0.00 0.00 C+0 HETATM 12 C UNK 0 14.261 -1.163 -0.403 0.00 0.00 C+0 HETATM 13 O UNK 0 14.458 -2.366 0.270 0.00 0.00 O+0 HETATM 14 C UNK 0 13.464 -1.427 -1.678 0.00 0.00 C+0 HETATM 15 C UNK 0 13.227 -0.124 -2.417 0.00 0.00 C+0 HETATM 16 O UNK 0 12.500 -0.444 -3.560 0.00 0.00 O+0 HETATM 17 C UNK 0 12.491 0.893 -1.625 0.00 0.00 C+0 HETATM 18 C UNK 0 11.148 0.404 -1.255 0.00 0.00 C+0 HETATM 19 O UNK 0 10.169 0.563 -2.076 0.00 0.00 O+0 HETATM 20 O UNK 0 10.862 -0.229 -0.053 0.00 0.00 O+0 HETATM 21 C UNK 0 9.563 -0.636 0.204 0.00 0.00 C+0 HETATM 22 C UNK 0 8.915 0.092 1.395 0.00 0.00 C+0 HETATM 23 C UNK 0 7.418 -0.209 1.225 0.00 0.00 C+0 HETATM 24 O UNK 0 6.639 0.409 2.186 0.00 0.00 O+0 HETATM 25 C UNK 0 5.825 1.462 1.540 0.00 0.00 C+0 HETATM 26 C UNK 0 6.435 2.668 2.208 0.00 0.00 C+0 HETATM 27 C UNK 0 5.978 4.018 1.806 0.00 0.00 C+0 HETATM 28 C UNK 0 4.444 1.072 1.957 0.00 0.00 C+0 HETATM 29 C UNK 0 4.134 -0.365 1.507 0.00 0.00 C+0 HETATM 30 C UNK 0 3.304 1.957 1.781 0.00 0.00 C+0 HETATM 31 O UNK 0 3.445 3.143 2.462 0.00 0.00 O+0 HETATM 32 C UNK 0 2.618 2.164 0.480 0.00 0.00 C+0 HETATM 33 C UNK 0 3.404 2.689 -0.653 0.00 0.00 C+0 HETATM 34 C UNK 0 1.607 1.090 0.140 0.00 0.00 C+0 HETATM 35 O UNK 0 0.609 1.026 1.137 0.00 0.00 O+0 HETATM 36 C UNK 0 0.842 1.339 -1.144 0.00 0.00 C+0 HETATM 37 C UNK 0 0.093 2.630 -1.101 0.00 0.00 C+0 HETATM 38 C UNK 0 -0.136 0.153 -1.271 0.00 0.00 C+0 HETATM 39 O UNK 0 0.628 -0.981 -1.302 0.00 0.00 O+0 HETATM 40 C UNK 0 0.562 -2.206 -0.733 0.00 0.00 C+0 HETATM 41 O UNK 0 0.791 -3.185 -1.547 0.00 0.00 O+0 HETATM 42 C UNK 0 0.280 -2.581 0.630 0.00 0.00 C+0 HETATM 43 C UNK 0 -0.751 -2.056 1.278 0.00 0.00 C+0 HETATM 44 C UNK 0 -2.110 -2.014 0.714 0.00 0.00 C+0 HETATM 45 C UNK 0 -2.866 -0.907 1.462 0.00 0.00 C+0 HETATM 46 C UNK 0 -2.840 -3.328 0.874 0.00 0.00 C+0 HETATM 47 O UNK 0 -1.981 -4.252 1.515 0.00 0.00 O+0 HETATM 48 C UNK 0 -4.131 -3.232 1.619 0.00 0.00 C+0 HETATM 49 C UNK 0 -5.105 -4.289 1.145 0.00 0.00 C+0 HETATM 50 O UNK 0 -4.343 -5.265 0.511 0.00 0.00 O+0 HETATM 51 C UNK 0 -6.081 -3.757 0.138 0.00 0.00 C+0 HETATM 52 C UNK 0 -7.017 -2.731 0.677 0.00 0.00 C+0 HETATM 53 C UNK 0 -7.512 -1.885 -0.499 0.00 0.00 C+0 HETATM 54 C UNK 0 -8.719 -2.522 -1.143 0.00 0.00 C+0 HETATM 55 O UNK 0 -8.332 -3.037 -2.376 0.00 0.00 O+0 HETATM 56 C UNK 0 -9.814 -1.508 -1.409 0.00 0.00 C+0 HETATM 57 C UNK 0 -10.435 -1.023 -0.106 0.00 0.00 C+0 HETATM 58 C UNK 0 -11.676 -1.782 0.243 0.00 0.00 C+0 HETATM 59 C UNK 0 -11.509 -2.600 1.513 0.00 0.00 C+0 HETATM 60 C UNK 0 -12.906 -0.854 0.388 0.00 0.00 C+0 HETATM 61 O UNK 0 -13.837 -1.668 1.042 0.00 0.00 O+0 HETATM 62 C UNK 0 -14.896 -2.076 0.242 0.00 0.00 C+0 HETATM 63 O UNK 0 -14.857 -3.443 -0.007 0.00 0.00 O+0 HETATM 64 C UNK 0 -15.595 -3.784 -1.094 0.00 0.00 C+0 HETATM 65 C UNK 0 -15.031 -3.340 -2.426 0.00 0.00 C+0 HETATM 66 O UNK 0 -15.879 -3.778 -3.476 0.00 0.00 O+0 HETATM 67 C UNK 0 -17.019 -3.320 -0.911 0.00 0.00 C+0 HETATM 68 O UNK 0 -17.859 -4.414 -1.007 0.00 0.00 O+0 HETATM 69 C UNK 0 -17.223 -2.727 0.470 0.00 0.00 C+0 HETATM 70 O UNK 0 -18.505 -2.241 0.579 0.00 0.00 O+0 HETATM 71 C UNK 0 -16.229 -1.595 0.704 0.00 0.00 C+0 HETATM 72 O UNK 0 -16.666 -0.457 0.016 0.00 0.00 O+0 HETATM 73 C UNK 0 -12.575 0.354 1.124 0.00 0.00 C+0 HETATM 74 O UNK 0 -12.136 0.151 2.282 0.00 0.00 O+0 HETATM 75 C UNK 0 -12.665 1.771 0.743 0.00 0.00 C+0 HETATM 76 O UNK 0 -13.619 2.380 1.601 0.00 0.00 O+0 HETATM 77 O UNK 0 -11.451 2.349 1.129 0.00 0.00 O+0 HETATM 78 C UNK 0 -11.486 3.712 1.187 0.00 0.00 C+0 HETATM 79 C UNK 0 -10.116 4.244 0.843 0.00 0.00 C+0 HETATM 80 C UNK 0 -9.555 5.122 1.936 0.00 0.00 C+0 HETATM 81 O UNK 0 -10.479 6.045 2.399 0.00 0.00 O+0 HETATM 82 C UNK 0 -8.318 5.803 1.386 0.00 0.00 C+0 HETATM 83 C UNK 0 -7.147 4.850 1.339 0.00 0.00 C+0 HETATM 84 O UNK 0 -6.505 4.922 2.570 0.00 0.00 O+0 HETATM 85 C UNK 0 -6.204 5.208 0.232 0.00 0.00 C+0 HETATM 86 C UNK 0 -6.090 4.164 -0.832 0.00 0.00 C+0 HETATM 87 O UNK 0 -7.291 3.910 -1.468 0.00 0.00 O+0 HETATM 88 C UNK 0 -5.487 2.882 -0.323 0.00 0.00 C+0 HETATM 89 C UNK 0 -5.654 1.750 -1.289 0.00 0.00 C+0 HETATM 90 C UNK 0 -5.157 2.042 -2.667 0.00 0.00 C+0 HETATM 91 C UNK 0 -4.421 0.871 -3.286 0.00 0.00 C+0 HETATM 92 O UNK 0 -5.277 -0.175 -3.589 0.00 0.00 O+0 HETATM 93 C UNK 0 -3.318 0.355 -2.394 0.00 0.00 C+0 HETATM 94 O UNK 0 -2.814 1.192 -1.432 0.00 0.00 O+0 HETATM 95 C UNK 0 -2.032 1.177 -2.566 0.00 0.00 C+0 HETATM 96 C UNK 0 -0.822 0.278 -2.626 0.00 0.00 C+0 HETATM 97 C UNK 0 0.120 0.585 -3.743 0.00 0.00 C+0 HETATM 98 C UNK 0 -12.465 4.330 0.213 0.00 0.00 C+0 HETATM 99 C UNK 0 -12.488 3.481 -1.029 0.00 0.00 C+0 HETATM 100 O UNK 0 -11.198 3.336 -1.537 0.00 0.00 O+0 HETATM 101 C UNK 0 -13.063 2.109 -0.633 0.00 0.00 C+0 HETATM 102 O UNK 0 -12.759 1.182 -1.619 0.00 0.00 O+0 HETATM 103 O UNK 0 7.221 -1.566 1.262 0.00 0.00 O+0 HETATM 104 C UNK 0 7.853 -2.329 0.331 0.00 0.00 C+0 HETATM 105 C UNK 0 7.519 -3.782 0.615 0.00 0.00 C+0 HETATM 106 C UNK 0 9.371 -2.109 0.469 0.00 0.00 C+0 HETATM 107 O UNK 0 10.074 -2.932 -0.373 0.00 0.00 O+0 HETATM 108 C UNK 0 10.861 -3.772 0.444 0.00 0.00 C+0 HETATM 109 H UNK 0 22.925 2.916 0.621 0.00 0.00 H+0 HETATM 110 H UNK 0 22.693 1.485 1.653 0.00 0.00 H+0 HETATM 111 H UNK 0 21.272 2.194 0.807 0.00 0.00 H+0 HETATM 112 H UNK 0 22.475 1.676 -1.408 0.00 0.00 H+0 HETATM 113 H UNK 0 23.724 0.753 -0.428 0.00 0.00 H+0 HETATM 114 H UNK 0 22.328 -0.801 -1.368 0.00 0.00 H+0 HETATM 115 H UNK 0 20.816 -0.018 -0.923 0.00 0.00 H+0 HETATM 116 H UNK 0 23.075 -1.242 0.793 0.00 0.00 H+0 HETATM 117 H UNK 0 21.784 -0.316 1.582 0.00 0.00 H+0 HETATM 118 H UNK 0 21.680 -2.977 1.477 0.00 0.00 H+0 HETATM 119 H UNK 0 21.275 -2.755 -0.279 0.00 0.00 H+0 HETATM 120 H UNK 0 19.382 -3.308 0.959 0.00 0.00 H+0 HETATM 121 H UNK 0 19.632 -2.060 2.197 0.00 0.00 H+0 HETATM 122 H UNK 0 18.894 -1.409 -0.716 0.00 0.00 H+0 HETATM 123 H UNK 0 17.690 -1.843 0.597 0.00 0.00 H+0 HETATM 124 H UNK 0 19.535 0.587 0.778 0.00 0.00 H+0 HETATM 125 H UNK 0 18.203 0.117 1.866 0.00 0.00 H+0 HETATM 126 H UNK 0 17.811 0.724 -1.105 0.00 0.00 H+0 HETATM 127 H UNK 0 17.507 1.785 0.293 0.00 0.00 H+0 HETATM 128 H UNK 0 15.841 0.055 1.231 0.00 0.00 H+0 HETATM 129 H UNK 0 15.976 -0.526 -1.755 0.00 0.00 H+0 HETATM 130 H UNK 0 13.670 -0.470 0.210 0.00 0.00 H+0 HETATM 131 H UNK 0 14.211 -3.121 -0.314 0.00 0.00 H+0 HETATM 132 H UNK 0 12.501 -1.889 -1.468 0.00 0.00 H+0 HETATM 133 H UNK 0 14.053 -2.085 -2.341 0.00 0.00 H+0 HETATM 134 H UNK 0 14.192 0.303 -2.786 0.00 0.00 H+0 HETATM 135 H UNK 0 11.839 -1.162 -3.385 0.00 0.00 H+0 HETATM 136 H UNK 0 12.343 1.792 -2.264 0.00 0.00 H+0 HETATM 137 H UNK 0 13.038 1.224 -0.712 0.00 0.00 H+0 HETATM 138 H UNK 0 8.897 -0.358 -0.660 0.00 0.00 H+0 HETATM 139 H UNK 0 9.091 1.149 1.204 0.00 0.00 H+0 HETATM 140 H UNK 0 9.287 -0.282 2.343 0.00 0.00 H+0 HETATM 141 H UNK 0 7.133 0.204 0.237 0.00 0.00 H+0 HETATM 142 H UNK 0 6.059 1.474 0.494 0.00 0.00 H+0 HETATM 143 H UNK 0 6.307 2.586 3.336 0.00 0.00 H+0 HETATM 144 H UNK 0 7.556 2.649 2.062 0.00 0.00 H+0 HETATM 145 H UNK 0 6.890 4.661 1.480 0.00 0.00 H+0 HETATM 146 H UNK 0 5.377 4.023 0.891 0.00 0.00 H+0 HETATM 147 H UNK 0 5.543 4.644 2.623 0.00 0.00 H+0 HETATM 148 H UNK 0 4.525 0.938 3.095 0.00 0.00 H+0 HETATM 149 H UNK 0 4.307 -0.567 0.473 0.00 0.00 H+0 HETATM 150 H UNK 0 3.103 -0.610 1.902 0.00 0.00 H+0 HETATM 151 H UNK 0 4.790 -1.018 2.126 0.00 0.00 H+0 HETATM 152 H UNK 0 2.451 1.432 2.411 0.00 0.00 H+0 HETATM 153 H UNK 0 2.921 3.890 2.073 0.00 0.00 H+0 HETATM 154 H UNK 0 1.920 3.062 0.731 0.00 0.00 H+0 HETATM 155 H UNK 0 2.779 2.671 -1.574 0.00 0.00 H+0 HETATM 156 H UNK 0 4.319 2.135 -0.931 0.00 0.00 H+0 HETATM 157 H UNK 0 3.598 3.805 -0.534 0.00 0.00 H+0 HETATM 158 H UNK 0 2.081 0.086 -0.034 0.00 0.00 H+0 HETATM 159 H UNK 0 0.878 0.313 1.767 0.00 0.00 H+0 HETATM 160 H UNK 0 1.536 1.323 -1.983 0.00 0.00 H+0 HETATM 161 H UNK 0 -0.740 2.600 -0.334 0.00 0.00 H+0 HETATM 162 H UNK 0 0.701 3.501 -0.784 0.00 0.00 H+0 HETATM 163 H UNK 0 -0.385 2.918 -2.034 0.00 0.00 H+0 HETATM 164 H UNK 0 -0.841 0.248 -0.457 0.00 0.00 H+0 HETATM 165 H UNK 0 0.929 -3.318 1.165 0.00 0.00 H+0 HETATM 166 H UNK 0 -0.555 -1.646 2.287 0.00 0.00 H+0 HETATM 167 H UNK 0 -2.166 -1.733 -0.345 0.00 0.00 H+0 HETATM 168 H UNK 0 -3.081 -1.177 2.506 0.00 0.00 H+0 HETATM 169 H UNK 0 -2.183 -0.009 1.506 0.00 0.00 H+0 HETATM 170 H UNK 0 -3.740 -0.555 0.888 0.00 0.00 H+0 HETATM 171 H UNK 0 -3.031 -3.778 -0.123 0.00 0.00 H+0 HETATM 172 H UNK 0 -1.454 -4.758 0.852 0.00 0.00 H+0 HETATM 173 H UNK 0 -4.581 -2.233 1.656 0.00 0.00 H+0 HETATM 174 H UNK 0 -3.898 -3.504 2.692 0.00 0.00 H+0 HETATM 175 H UNK 0 -5.654 -4.720 1.981 0.00 0.00 H+0 HETATM 176 H UNK 0 -4.900 -5.963 0.086 0.00 0.00 H+0 HETATM 177 H UNK 0 -6.702 -4.630 -0.200 0.00 0.00 H+0 HETATM 178 H UNK 0 -5.589 -3.369 -0.778 0.00 0.00 H+0 HETATM 179 H UNK 0 -7.935 -3.181 1.143 0.00 0.00 H+0 HETATM 180 H UNK 0 -6.593 -2.039 1.411 0.00 0.00 H+0 HETATM 181 H UNK 0 -7.727 -0.858 -0.135 0.00 0.00 H+0 HETATM 182 H UNK 0 -6.657 -1.801 -1.200 0.00 0.00 H+0 HETATM 183 H UNK 0 -9.164 -3.342 -0.565 0.00 0.00 H+0 HETATM 184 H UNK 0 -7.948 -2.321 -2.931 0.00 0.00 H+0 HETATM 185 H UNK 0 -10.540 -1.971 -2.082 0.00 0.00 H+0 HETATM 186 H UNK 0 -9.393 -0.630 -1.922 0.00 0.00 H+0 HETATM 187 H UNK 0 -10.702 0.040 -0.259 0.00 0.00 H+0 HETATM 188 H UNK 0 -9.628 -1.143 0.655 0.00 0.00 H+0 HETATM 189 H UNK 0 -11.868 -2.510 -0.572 0.00 0.00 H+0 HETATM 190 H UNK 0 -12.497 -2.950 1.820 0.00 0.00 H+0 HETATM 191 H UNK 0 -10.966 -2.043 2.302 0.00 0.00 H+0 HETATM 192 H UNK 0 -10.902 -3.478 1.250 0.00 0.00 H+0 HETATM 193 H UNK 0 -13.278 -0.741 -0.637 0.00 0.00 H+0 HETATM 194 H UNK 0 -14.703 -1.581 -0.746 0.00 0.00 H+0 HETATM 195 H UNK 0 -15.565 -4.922 -1.149 0.00 0.00 H+0 HETATM 196 H UNK 0 -14.043 -3.788 -2.630 0.00 0.00 H+0 HETATM 197 H UNK 0 -14.984 -2.247 -2.556 0.00 0.00 H+0 HETATM 198 H UNK 0 -16.065 -4.748 -3.365 0.00 0.00 H+0 HETATM 199 H UNK 0 -17.224 -2.535 -1.646 0.00 0.00 H+0 HETATM 200 H UNK 0 -18.738 -4.175 -1.395 0.00 0.00 H+0 HETATM 201 H UNK 0 -16.993 -3.490 1.239 0.00 0.00 H+0 HETATM 202 H UNK 0 -18.692 -1.656 -0.202 0.00 0.00 H+0 HETATM 203 H UNK 0 -16.279 -1.356 1.784 0.00 0.00 H+0 HETATM 204 H UNK 0 -16.951 -0.650 -0.907 0.00 0.00 H+0 HETATM 205 H UNK 0 -14.323 1.738 1.862 0.00 0.00 H+0 HETATM 206 H UNK 0 -11.797 4.096 2.203 0.00 0.00 H+0 HETATM 207 H UNK 0 -9.417 3.389 0.753 0.00 0.00 H+0 HETATM 208 H UNK 0 -10.125 4.860 -0.089 0.00 0.00 H+0 HETATM 209 H UNK 0 -9.240 4.490 2.794 0.00 0.00 H+0 HETATM 210 H UNK 0 -10.002 6.662 3.005 0.00 0.00 H+0 HETATM 211 H UNK 0 -8.586 6.128 0.339 0.00 0.00 H+0 HETATM 212 H UNK 0 -8.007 6.666 2.001 0.00 0.00 H+0 HETATM 213 H UNK 0 -7.462 3.798 1.196 0.00 0.00 H+0 HETATM 214 H UNK 0 -6.566 4.087 3.089 0.00 0.00 H+0 HETATM 215 H UNK 0 -6.527 6.153 -0.258 0.00 0.00 H+0 HETATM 216 H UNK 0 -5.191 5.390 0.637 0.00 0.00 H+0 HETATM 217 H UNK 0 -5.365 4.569 -1.595 0.00 0.00 H+0 HETATM 218 H UNK 0 -7.828 3.196 -1.076 0.00 0.00 H+0 HETATM 219 H UNK 0 -5.954 2.554 0.639 0.00 0.00 H+0 HETATM 220 H UNK 0 -4.406 2.986 -0.090 0.00 0.00 H+0 HETATM 221 H UNK 0 -5.097 0.868 -0.870 0.00 0.00 H+0 HETATM 222 H UNK 0 -6.729 1.408 -1.306 0.00 0.00 H+0 HETATM 223 H UNK 0 -6.036 2.240 -3.312 0.00 0.00 H+0 HETATM 224 H UNK 0 -4.508 2.937 -2.711 0.00 0.00 H+0 HETATM 225 H UNK 0 -3.932 1.249 -4.208 0.00 0.00 H+0 HETATM 226 H UNK 0 -5.078 -0.950 -3.009 0.00 0.00 H+0 HETATM 227 H UNK 0 -3.199 -0.733 -2.263 0.00 0.00 H+0 HETATM 228 H UNK 0 -2.120 1.963 -3.348 0.00 0.00 H+0 HETATM 229 H UNK 0 -1.243 -0.752 -2.867 0.00 0.00 H+0 HETATM 230 H UNK 0 -0.461 0.466 -4.692 0.00 0.00 H+0 HETATM 231 H UNK 0 0.555 1.579 -3.758 0.00 0.00 H+0 HETATM 232 H UNK 0 0.867 -0.236 -3.774 0.00 0.00 H+0 HETATM 233 H UNK 0 -13.486 4.444 0.611 0.00 0.00 H+0 HETATM 234 H UNK 0 -12.097 5.341 -0.129 0.00 0.00 H+0 HETATM 235 H UNK 0 -13.142 3.987 -1.774 0.00 0.00 H+0 HETATM 236 H UNK 0 -11.270 2.754 -2.360 0.00 0.00 H+0 HETATM 237 H UNK 0 -14.181 2.272 -0.737 0.00 0.00 H+0 HETATM 238 H UNK 0 -13.354 1.308 -2.405 0.00 0.00 H+0 HETATM 239 H UNK 0 7.502 -2.116 -0.687 0.00 0.00 H+0 HETATM 240 H UNK 0 7.992 -4.471 -0.109 0.00 0.00 H+0 HETATM 241 H UNK 0 6.424 -3.901 0.520 0.00 0.00 H+0 HETATM 242 H UNK 0 7.782 -4.060 1.662 0.00 0.00 H+0 HETATM 243 H UNK 0 9.584 -2.293 1.547 0.00 0.00 H+0 HETATM 244 H UNK 0 11.519 -3.092 1.027 0.00 0.00 H+0 HETATM 245 H UNK 0 11.407 -4.535 -0.133 0.00 0.00 H+0 HETATM 246 H UNK 0 10.175 -4.261 1.196 0.00 0.00 H+0 CONECT 1 2 109 110 111 CONECT 2 1 3 112 113 CONECT 3 2 4 114 115 CONECT 4 3 5 116 117 CONECT 5 4 6 118 119 CONECT 6 5 7 120 121 CONECT 7 6 8 122 123 CONECT 8 7 9 124 125 CONECT 9 8 10 126 127 CONECT 10 9 11 128 CONECT 11 10 12 129 CONECT 12 11 13 14 130 CONECT 13 12 131 CONECT 14 12 15 132 133 CONECT 15 14 16 17 134 CONECT 16 15 135 CONECT 17 15 18 136 137 CONECT 18 17 19 20 CONECT 19 18 CONECT 20 18 21 CONECT 21 20 22 106 138 CONECT 22 21 23 139 140 CONECT 23 22 24 103 141 CONECT 24 23 25 CONECT 25 24 26 28 142 CONECT 26 25 27 143 144 CONECT 27 26 145 146 147 CONECT 28 25 29 30 148 CONECT 29 28 149 150 151 CONECT 30 28 31 32 152 CONECT 31 30 153 CONECT 32 30 33 34 154 CONECT 33 32 155 156 157 CONECT 34 32 35 36 158 CONECT 35 34 159 CONECT 36 34 37 38 160 CONECT 37 36 161 162 163 CONECT 38 36 39 96 164 CONECT 39 38 40 CONECT 40 39 41 42 CONECT 41 40 CONECT 42 40 43 165 CONECT 43 42 44 166 CONECT 44 43 45 46 167 CONECT 45 44 168 169 170 CONECT 46 44 47 48 171 CONECT 47 46 172 CONECT 48 46 49 173 174 CONECT 49 48 50 51 175 CONECT 50 49 176 CONECT 51 49 52 177 178 CONECT 52 51 53 179 180 CONECT 53 52 54 181 182 CONECT 54 53 55 56 183 CONECT 55 54 184 CONECT 56 54 57 185 186 CONECT 57 56 58 187 188 CONECT 58 57 59 60 189 CONECT 59 58 190 191 192 CONECT 60 58 61 73 193 CONECT 61 60 62 CONECT 62 61 63 71 194 CONECT 63 62 64 CONECT 64 63 65 67 195 CONECT 65 64 66 196 197 CONECT 66 65 198 CONECT 67 64 68 69 199 CONECT 68 67 200 CONECT 69 67 70 71 201 CONECT 70 69 202 CONECT 71 69 72 62 203 CONECT 72 71 204 CONECT 73 60 74 75 CONECT 74 73 CONECT 75 73 76 77 101 CONECT 76 75 205 CONECT 77 75 78 CONECT 78 77 79 98 206 CONECT 79 78 80 207 208 CONECT 80 79 81 82 209 CONECT 81 80 210 CONECT 82 80 83 211 212 CONECT 83 82 84 85 213 CONECT 84 83 214 CONECT 85 83 86 215 216 CONECT 86 85 87 88 217 CONECT 87 86 218 CONECT 88 86 89 219 220 CONECT 89 88 90 221 222 CONECT 90 89 91 223 224 CONECT 91 90 92 93 225 CONECT 92 91 226 CONECT 93 91 94 95 227 CONECT 94 93 95 CONECT 95 94 96 93 228 CONECT 96 95 97 38 229 CONECT 97 96 230 231 232 CONECT 98 78 99 233 234 CONECT 99 98 100 101 235 CONECT 100 99 236 CONECT 101 99 102 75 237 CONECT 102 101 238 CONECT 103 23 104 CONECT 104 103 105 106 239 CONECT 105 104 240 241 242 CONECT 106 104 107 21 243 CONECT 107 106 108 CONECT 108 107 244 245 246 CONECT 109 1 CONECT 110 1 CONECT 111 1 CONECT 112 2 CONECT 113 2 CONECT 114 3 CONECT 115 3 CONECT 116 4 CONECT 117 4 CONECT 118 5 CONECT 119 5 CONECT 120 6 CONECT 121 6 CONECT 122 7 CONECT 123 7 CONECT 124 8 CONECT 125 8 CONECT 126 9 CONECT 127 9 CONECT 128 10 CONECT 129 11 CONECT 130 12 CONECT 131 13 CONECT 132 14 CONECT 133 14 CONECT 134 15 CONECT 135 16 CONECT 136 17 CONECT 137 17 CONECT 138 21 CONECT 139 22 CONECT 140 22 CONECT 141 23 CONECT 142 25 CONECT 143 26 CONECT 144 26 CONECT 145 27 CONECT 146 27 CONECT 147 27 CONECT 148 28 CONECT 149 29 CONECT 150 29 CONECT 151 29 CONECT 152 30 CONECT 153 31 CONECT 154 32 CONECT 155 33 CONECT 156 33 CONECT 157 33 CONECT 158 34 CONECT 159 35 CONECT 160 36 CONECT 161 37 CONECT 162 37 CONECT 163 37 CONECT 164 38 CONECT 165 42 CONECT 166 43 CONECT 167 44 CONECT 168 45 CONECT 169 45 CONECT 170 45 CONECT 171 46 CONECT 172 47 CONECT 173 48 CONECT 174 48 CONECT 175 49 CONECT 176 50 CONECT 177 51 CONECT 178 51 CONECT 179 52 CONECT 180 52 CONECT 181 53 CONECT 182 53 CONECT 183 54 CONECT 184 55 CONECT 185 56 CONECT 186 56 CONECT 187 57 CONECT 188 57 CONECT 189 58 CONECT 190 59 CONECT 191 59 CONECT 192 59 CONECT 193 60 CONECT 194 62 CONECT 195 64 CONECT 196 65 CONECT 197 65 CONECT 198 66 CONECT 199 67 CONECT 200 68 CONECT 201 69 CONECT 202 70 CONECT 203 71 CONECT 204 72 CONECT 205 76 CONECT 206 78 CONECT 207 79 CONECT 208 79 CONECT 209 80 CONECT 210 81 CONECT 211 82 CONECT 212 82 CONECT 213 83 CONECT 214 84 CONECT 215 85 CONECT 216 85 CONECT 217 86 CONECT 218 87 CONECT 219 88 CONECT 220 88 CONECT 221 89 CONECT 222 89 CONECT 223 90 CONECT 224 90 CONECT 225 91 CONECT 226 92 CONECT 227 93 CONECT 228 95 CONECT 229 96 CONECT 230 97 CONECT 231 97 CONECT 232 97 CONECT 233 98 CONECT 234 98 CONECT 235 99 CONECT 236 100 CONECT 237 101 CONECT 238 102 CONECT 239 104 CONECT 240 105 CONECT 241 105 CONECT 242 105 CONECT 243 106 CONECT 244 108 CONECT 245 108 CONECT 246 108 MASTER 0 0 0 0 0 0 0 0 246 0 500 0 END SMILES for NP0023036 (Liposidolide A)[H]OC([H])([H])[C@@]1([H])O[C@]([H])(O[C@@]2([H])C(=O)[C@@]3(O[H])O[C@]([H])(C([H])([H])[C@@]([H])(O[H])[C@@]3([H])O[H])C([H])([H])[C@]([H])(O[H])C([H])([H])[C@]([H])(O[H])C([H])([H])[C@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])[C@]([H])(O[H])[C@]3([H])O[C@@]3([H])[C@@]([H])(C([H])([H])[H])[C@@]([H])(OC(=O)\C([H])=C([H])/[C@]([H])(C([H])([H])[H])[C@@]([H])(O[H])C([H])([H])[C@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])[C@]([H])(O[H])C([H])([H])C([H])([H])[C@@]2([H])C([H])([H])[H])[C@@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(C([H])([H])[H])[C@]([H])(O[C@]2([H])O[C@]([H])(C([H])([H])[H])[C@@]([H])(OC([H])([H])[H])[C@]([H])(OC(=O)C([H])([H])[C@]([H])(O[H])C([H])([H])[C@@]([H])(O[H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C2([H])[H])C([H])([H])C([H])([H])[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H] INCHI for NP0023036 (Liposidolide A)InChI=1S/C78H138O30/c1-11-13-14-15-16-17-18-19-20-23-49(81)33-54(86)37-63(91)102-60-39-64(101-47(9)73(60)100-10)103-59(12-2)43(5)65(92)44(6)66(93)45(7)71-46(8)72-74(106-72)56(87)27-22-26-50(82)32-52(84)34-53(85)35-55-38-58(89)75(97)78(99,108-55)76(98)70(107-77-69(96)68(95)67(94)61(40-79)104-77)42(4)28-30-48(80)24-21-25-51(83)36-57(88)41(3)29-31-62(90)105-71/h20,23,29,31,41-61,64-75,77,79-89,92-97,99H,11-19,21-22,24-28,30,32-40H2,1-10H3/b23-20+,31-29-/t41-,42+,43-,44+,45-,46-,47+,48-,49-,50+,51+,52+,53+,54+,55-,56-,57-,58+,59+,60+,61+,64-,65+,66+,67+,68-,69-,70+,71-,72-,73+,74-,75+,77+,78-/m0/s1 3D Structure for NP0023036 (Liposidolide A) | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms |
| |||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Formula | C78H138O30 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 1555.9320 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 1554.92729 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | (2R,3R,4R,6R)-6-{[(3R,4R,5S,6R,7R,8S)-8-[(1S,3R,5R,7R,11S,12S,14S,15S,16S,19Z,21S,22S,24R,28S,31R,32R,34S,35R,36R)-3,5,7,11,22,24,28,34,35,36-decahydroxy-15,21,31-trimethyl-18,33-dioxo-32-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-13,17,38-trioxatricyclo[32.3.1.0^{12,14}]octatriacont-19-en-16-yl]-5,7-dihydroxy-4,6-dimethylnonan-3-yl]oxy}-3-methoxy-2-methyloxan-4-yl (3R,5R,6E)-3,5-dihydroxyhexadec-6-enoate | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | (2R,3R,4R,6R)-6-{[(3R,4R,5S,6R,7R,8S)-8-[(1S,3R,5R,7R,11S,12S,14S,15S,16S,19Z,21S,22S,24R,28S,31R,32R,34S,35R,36R)-3,5,7,11,22,24,28,34,35,36-decahydroxy-15,21,31-trimethyl-18,33-dioxo-32-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-13,17,38-trioxatricyclo[32.3.1.0^{12,14}]octatriacont-19-en-16-yl]-5,7-dihydroxy-4,6-dimethylnonan-3-yl]oxy}-3-methoxy-2-methyloxan-4-yl (3R,5R,6E)-3,5-dihydroxyhexadec-6-enoate | |||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | CCCCCCCCC\C=C\C(O)CC(O)CC(=O)O[C@@H]1C[C@H](OC(CC)C(C)C(O)C(C)C(O)C(C)C2OC(=O)\C=C/C(C)C(O)CC(O)CCCC(O)CCC(C)C(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)C(=O)C3(O)OC(CC(O)C3O)CC(O)CC(O)CC(O)CCCC(O)C3OC3C2C)O[C@H](C)[C@H]1OC | |||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C78H138O30/c1-11-13-14-15-16-17-18-19-20-23-49(81)33-54(86)37-63(91)102-60-39-64(101-47(9)73(60)100-10)103-59(12-2)43(5)65(92)44(6)66(93)45(7)71-46(8)72-74(106-72)56(87)27-22-26-50(82)32-52(84)34-53(85)35-55-38-58(89)75(97)78(99,108-55)76(98)70(107-77-69(96)68(95)67(94)61(40-79)104-77)42(4)28-30-48(80)24-21-25-51(83)36-57(88)41(3)29-31-62(90)105-71/h20,23,29,31,41-61,64-75,77,79-89,92-97,99H,11-19,21-22,24-28,30,32-40H2,1-10H3/b23-20+,31-29-/t41?,42?,43?,44?,45?,46?,47-,48?,49?,50?,51?,52?,53?,54?,55?,56?,57?,58?,59?,60-,61-,64+,65?,66?,67-,68+,69+,70?,71?,72?,73-,74?,75?,77-,78?/m1/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | PKZZAHCVPDDHNO-HJGCNKCBSA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Shift Submissions | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species of Origin |
| |||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Taxonomy | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Classification | Not classified | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Physical Properties | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| State | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Properties |
| |||||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Properties |
| |||||||||||||||||||||||||||||||||||||||||||||||||||
| External Links | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| NPAtlas ID | NPA008215 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemspider ID | 8877067 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| PubChem Compound | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References |
| |||||||||||||||||||||||||||||||||||||||||||||||||||
