Showing NP-Card for Quartromicin D3 (NP0004753)
| Record Information | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2020-12-09 02:10:33 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-07-15 16:50:04 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0004753 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Quartromicin D3 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Quartromicin D3 is found in Amycolatopsis and Amycolatopsis orientalis Q427-8 (ATCC 53884). | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for NP0004753 (Quartromicin D3)
Mrv1652307012117553D
171179 0 0 0 0 999 V2000
0.0792 6.6685 1.0437 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0819 5.3510 0.3583 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2940 4.2680 0.9956 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9214 3.1495 0.3464 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9913 3.3208 -0.3952 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1344 4.1895 0.0032 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.9729 4.6499 1.4604 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2319 5.3983 -0.8130 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3912 5.9455 -1.1170 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4500 7.1886 -1.9566 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.1722 6.9495 -3.1153 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.6454 5.3230 -0.6405 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.2102 5.9173 0.6055 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5492 3.8194 -0.6386 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.3367 3.2812 0.0189 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.6937 2.9236 1.3192 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2788 1.6609 1.5965 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.3469 0.9708 2.1711 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7404 1.0169 0.3795 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.0541 1.9671 -0.6845 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0770 1.7310 -1.8679 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3911 -0.3754 0.1321 C 0 0 2 0 0 0 0 0 0 0 0 0
-5.7445 -0.2658 0.3994 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6381 -1.2897 0.9861 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4192 -2.5348 0.6191 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5483 -3.3144 0.0402 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.8914 -2.9440 -1.3684 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7127 -3.3916 0.9444 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5506 -4.3878 0.8705 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7136 -4.4247 1.8027 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.9219 -4.4221 1.1082 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.4268 -5.5252 -0.0898 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.4720 -5.4375 -1.1800 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0343 -5.7207 -0.5744 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.0294 -4.7638 -0.0150 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.7762 -5.0964 1.3105 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5366 -5.7072 1.3984 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.8392 -5.0724 2.3979 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9075 -5.7560 0.0648 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.7599 -4.8205 -0.7377 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4249 -4.2707 -1.7393 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4935 -5.2825 -0.0474 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.0689 -5.6529 -1.3271 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3223 -5.8870 1.0384 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5539 -7.3615 1.0108 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8396 -5.1686 2.0210 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2702 -3.8024 1.8529 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1743 -3.5231 0.9300 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4122 -4.2575 0.7466 C 0 0 1 0 0 0 0 0 0 0 0 0
3.4324 -5.3463 -0.2381 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6028 -5.9318 -0.4159 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7389 -7.0634 -1.4058 C 0 0 1 0 0 0 0 0 0 0 0 0
5.1706 -8.1968 -0.7192 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7747 -5.4667 0.3767 C 0 0 1 0 0 0 0 0 0 0 0 0
7.0500 -5.9211 -0.3031 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8131 -3.9973 0.6431 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5242 -3.3256 0.2982 C 0 0 1 0 0 0 0 0 0 0 0 0
4.4628 -3.2959 -1.1195 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9760 -2.0477 -1.4905 C 0 0 1 0 0 0 0 0 0 0 0 0
4.6024 -1.8200 -2.8074 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2338 -1.1529 -0.5148 C 0 0 1 0 0 0 0 0 0 0 0 0
4.3773 -1.9396 0.7290 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3775 -1.5506 1.8775 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9034 0.2400 -0.4038 C 0 0 1 0 0 0 0 0 0 0 0 0
5.7313 0.3060 -1.4586 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8130 1.1567 -0.2491 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7218 2.2478 -0.9152 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8418 3.2107 -0.9051 C 0 0 2 0 0 0 0 0 0 0 0 0
5.5249 3.0784 -2.2737 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7864 3.1500 0.1856 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9091 4.0310 1.1420 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9513 3.8135 2.2127 C 0 0 2 0 0 0 0 0 0 0 0 0
7.8614 4.8409 2.2463 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1122 5.2639 1.2587 C 0 0 1 0 0 0 0 0 0 0 0 0
5.9080 6.4191 1.8624 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8574 5.6546 -0.1900 C 0 0 1 0 0 0 0 0 0 0 0 0
4.1537 4.5649 -0.9287 C 0 0 1 0 0 0 0 0 0 0 0 0
3.9801 5.0230 -2.2297 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6838 5.4555 -2.4046 C 0 0 1 0 0 0 0 0 0 0 0 0
1.9509 4.7006 -3.2863 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0295 5.5556 -1.0425 C 0 0 2 0 0 0 0 0 0 0 0 0
2.7837 4.5015 -0.3404 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3596 3.7803 0.5029 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5404 5.3597 -1.0623 C 0 0 1 0 0 0 0 0 0 0 0 0
0.2376 4.2336 -1.7704 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5440 7.3974 0.4543 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3918 6.6269 2.0458 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0972 7.1261 1.0758 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0820 4.2310 2.0861 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5306 2.1148 0.4624 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0690 2.8026 -1.3515 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9884 4.7078 1.9582 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4450 3.8824 2.0717 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5635 5.6576 1.5470 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2882 5.8730 -1.1953 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9074 8.0280 -1.3704 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4237 7.5096 -2.2245 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2260 7.7873 -3.6302 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4089 5.5510 -1.4488 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1727 6.4368 0.4779 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2872 5.0868 1.3638 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4425 6.6063 1.0300 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4516 3.4435 -0.1175 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5714 3.4827 -1.7000 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5039 1.7293 2.4162 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5056 1.1755 3.1048 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6472 0.8545 0.4810 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2729 -0.4930 -0.9508 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2151 0.0724 -0.4020 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2277 -0.9510 1.9584 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4019 -2.9589 0.7545 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2136 -3.8480 -1.9702 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0060 -2.5906 -1.9477 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7748 -2.2683 -1.4585 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8549 -2.6166 1.6759 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6309 -3.5727 2.4888 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6876 -5.3409 2.4283 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6518 -4.0359 1.6580 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7297 -6.4421 0.5031 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7026 -4.3715 -1.4039 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4066 -5.9507 -0.9212 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0161 -5.9480 -2.0769 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0386 -5.8120 -1.6779 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6539 -6.7407 -0.2439 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6590 -6.7768 1.7467 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4391 -4.5715 3.0066 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9516 -6.7562 -0.4230 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4414 -4.1754 -0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3600 -4.8909 -1.7994 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0984 -7.8729 1.8848 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6421 -7.5601 0.9332 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0979 -7.8158 0.1065 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8953 -5.6772 3.0051 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8622 -2.9914 2.5034 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9483 -2.6606 0.2862 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8018 -4.7147 1.7018 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5769 -5.6482 -0.7731 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7514 -7.2589 -1.8441 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4525 -6.7803 -2.2039 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6182 -8.7922 -1.3840 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7066 -6.0473 1.3453 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1517 -6.9997 -0.1562 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9171 -5.4167 0.1665 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0377 -5.6088 -1.3588 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6843 -3.5727 0.1241 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0129 -3.8611 1.7480 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0632 -1.9712 -1.3617 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3303 -0.8685 -2.9131 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2193 -1.0566 -0.8999 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4868 0.1714 0.5352 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6939 0.1779 -1.2267 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0114 0.8821 0.4677 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8243 2.5230 -1.5190 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5674 4.0775 -2.8039 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5935 2.7968 -2.1790 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9439 2.4422 -2.9720 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5034 2.2555 0.2096 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3783 2.8111 2.1797 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3637 3.8728 3.1757 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4741 4.7440 1.4872 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2027 5.1686 1.8488 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2256 7.3152 1.7768 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1009 6.2826 2.9330 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7908 6.6693 1.2606 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1939 6.5263 -0.1614 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8092 5.9075 -0.6590 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7323 6.4946 -2.8100 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4954 4.0108 -3.7489 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2190 6.5684 -0.6154 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1022 6.2325 -1.6071 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6687 3.4079 -1.4880 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 7 1 1 0 0 0
6 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
9 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 1 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
17 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
19 22 1 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
26 27 1 6 0 0 0
26 28 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
29 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
35 36 1 1 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
37 39 1 0 0 0 0
39 40 1 0 0 0 0
40 41 2 0 0 0 0
39 42 1 0 0 0 0
42 43 1 0 0 0 0
42 44 1 0 0 0 0
44 45 1 0 0 0 0
44 46 2 0 0 0 0
46 47 1 0 0 0 0
47 48 2 0 0 0 0
48 49 1 0 0 0 0
49 50 1 0 0 0 0
50 51 2 0 0 0 0
51 52 1 0 0 0 0
52 53 1 0 0 0 0
51 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 6 0 0 0
58 59 1 0 0 0 0
59 60 1 0 0 0 0
59 61 1 0 0 0 0
61 62 1 0 0 0 0
62 63 2 0 0 0 0
61 64 1 0 0 0 0
64 65 1 0 0 0 0
64 66 1 0 0 0 0
66 67 2 0 0 0 0
67 68 1 0 0 0 0
68 69 1 6 0 0 0
68 70 1 0 0 0 0
70 71 2 0 0 0 0
71 72 1 0 0 0 0
72 73 1 0 0 0 0
71 74 1 0 0 0 0
74 75 1 0 0 0 0
74 76 1 0 0 0 0
76 77 1 0 0 0 0
77 78 1 6 0 0 0
78 79 1 0 0 0 0
79 80 1 0 0 0 0
79 81 1 0 0 0 0
81 82 1 0 0 0 0
82 83 2 0 0 0 0
81 84 1 0 0 0 0
84 85 1 0 0 0 0
84 2 1 0 0 0 0
15 6 1 0 0 0 0
35 26 1 0 0 0 0
57 49 1 0 0 0 0
77 68 1 0 0 0 0
20 15 1 0 0 0 0
40 35 1 0 0 0 0
62 57 1 0 0 0 0
82 77 1 0 0 0 0
1 86 1 0 0 0 0
1 87 1 0 0 0 0
1 88 1 0 0 0 0
3 89 1 0 0 0 0
4 90 1 0 0 0 0
5 91 1 0 0 0 0
7 92 1 0 0 0 0
7 93 1 0 0 0 0
7 94 1 0 0 0 0
8 95 1 0 0 0 0
10 96 1 0 0 0 0
10 97 1 0 0 0 0
11 98 1 0 0 0 0
12 99 1 6 0 0 0
13100 1 0 0 0 0
13101 1 0 0 0 0
13102 1 0 0 0 0
14103 1 0 0 0 0
14104 1 0 0 0 0
17105 1 1 0 0 0
18106 1 0 0 0 0
19107 1 1 0 0 0
22108 1 6 0 0 0
23109 1 0 0 0 0
24110 1 0 0 0 0
25111 1 0 0 0 0
27112 1 0 0 0 0
27113 1 0 0 0 0
27114 1 0 0 0 0
28115 1 0 0 0 0
30116 1 0 0 0 0
30117 1 0 0 0 0
31118 1 0 0 0 0
32119 1 1 0 0 0
33120 1 0 0 0 0
33121 1 0 0 0 0
33122 1 0 0 0 0
34123 1 0 0 0 0
34124 1 0 0 0 0
37125 1 1 0 0 0
38126 1 0 0 0 0
39127 1 6 0 0 0
42128 1 6 0 0 0
43129 1 0 0 0 0
45130 1 0 0 0 0
45131 1 0 0 0 0
45132 1 0 0 0 0
46133 1 0 0 0 0
47134 1 0 0 0 0
48135 1 0 0 0 0
49136 1 1 0 0 0
50137 1 0 0 0 0
52138 1 0 0 0 0
52139 1 0 0 0 0
53140 1 0 0 0 0
54141 1 1 0 0 0
55142 1 0 0 0 0
55143 1 0 0 0 0
55144 1 0 0 0 0
56145 1 0 0 0 0
56146 1 0 0 0 0
59147 1 6 0 0 0
60148 1 0 0 0 0
61149 1 6 0 0 0
64150 1 1 0 0 0
65151 1 0 0 0 0
66152 1 0 0 0 0
67153 1 0 0 0 0
69154 1 0 0 0 0
69155 1 0 0 0 0
69156 1 0 0 0 0
70157 1 0 0 0 0
72158 1 0 0 0 0
72159 1 0 0 0 0
73160 1 0 0 0 0
74161 1 1 0 0 0
75162 1 0 0 0 0
75163 1 0 0 0 0
75164 1 0 0 0 0
76165 1 0 0 0 0
76166 1 0 0 0 0
79167 1 6 0 0 0
80168 1 0 0 0 0
81169 1 1 0 0 0
84170 1 6 0 0 0
85171 1 0 0 0 0
M END
3D MOL for NP0004753 (Quartromicin D3)
RDKit 3D
171179 0 0 0 0 0 0 0 0999 V2000
0.0792 6.6685 1.0437 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0819 5.3510 0.3583 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2940 4.2680 0.9956 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9214 3.1495 0.3464 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9913 3.3208 -0.3952 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1344 4.1895 0.0032 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.9729 4.6499 1.4604 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2319 5.3983 -0.8130 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3912 5.9455 -1.1170 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4500 7.1886 -1.9566 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1722 6.9495 -3.1153 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.6454 5.3230 -0.6405 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.2102 5.9173 0.6055 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5492 3.8194 -0.6386 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3367 3.2812 0.0189 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.6937 2.9236 1.3192 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2788 1.6609 1.5965 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.3469 0.9708 2.1711 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7404 1.0169 0.3795 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.0541 1.9671 -0.6845 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0770 1.7310 -1.8679 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3911 -0.3754 0.1321 C 0 0 2 0 0 0 0 0 0 0 0 0
-5.7445 -0.2658 0.3994 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6381 -1.2897 0.9861 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4192 -2.5348 0.6191 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5483 -3.3144 0.0402 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.8914 -2.9440 -1.3684 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7127 -3.3916 0.9444 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5506 -4.3878 0.8705 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7136 -4.4247 1.8027 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.9219 -4.4221 1.1082 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.4268 -5.5252 -0.0898 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.4720 -5.4375 -1.1800 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0343 -5.7207 -0.5744 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0294 -4.7638 -0.0150 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.7762 -5.0964 1.3105 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5366 -5.7072 1.3984 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.8392 -5.0724 2.3979 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9075 -5.7560 0.0648 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.7599 -4.8205 -0.7377 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4249 -4.2707 -1.7393 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4935 -5.2825 -0.0474 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.0689 -5.6529 -1.3271 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3223 -5.8870 1.0384 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5539 -7.3615 1.0108 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8396 -5.1686 2.0210 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2702 -3.8024 1.8529 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1743 -3.5231 0.9300 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4122 -4.2575 0.7466 C 0 0 1 0 0 0 0 0 0 0 0 0
3.4324 -5.3463 -0.2381 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6028 -5.9318 -0.4159 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7389 -7.0634 -1.4058 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1706 -8.1968 -0.7192 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7747 -5.4667 0.3767 C 0 0 1 0 0 0 0 0 0 0 0 0
7.0500 -5.9211 -0.3031 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8131 -3.9973 0.6431 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5242 -3.3256 0.2982 C 0 0 1 0 0 0 0 0 0 0 0 0
4.4628 -3.2959 -1.1195 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9760 -2.0477 -1.4905 C 0 0 1 0 0 0 0 0 0 0 0 0
4.6024 -1.8200 -2.8074 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2338 -1.1529 -0.5148 C 0 0 1 0 0 0 0 0 0 0 0 0
4.3773 -1.9396 0.7290 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3775 -1.5506 1.8775 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9034 0.2400 -0.4038 C 0 0 1 0 0 0 0 0 0 0 0 0
5.7313 0.3060 -1.4586 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8130 1.1567 -0.2491 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7218 2.2478 -0.9152 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8418 3.2107 -0.9051 C 0 0 2 0 0 0 0 0 0 0 0 0
5.5249 3.0784 -2.2737 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7864 3.1500 0.1856 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9091 4.0310 1.1420 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9513 3.8135 2.2127 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8614 4.8409 2.2463 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1122 5.2639 1.2587 C 0 0 1 0 0 0 0 0 0 0 0 0
5.9080 6.4191 1.8624 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8574 5.6546 -0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1537 4.5649 -0.9287 C 0 0 1 0 0 0 0 0 0 0 0 0
3.9801 5.0230 -2.2297 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6838 5.4555 -2.4046 C 0 0 1 0 0 0 0 0 0 0 0 0
1.9509 4.7006 -3.2863 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0295 5.5556 -1.0425 C 0 0 2 0 0 0 0 0 0 0 0 0
2.7837 4.5015 -0.3404 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3596 3.7803 0.5029 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5404 5.3597 -1.0623 C 0 0 1 0 0 0 0 0 0 0 0 0
0.2376 4.2336 -1.7704 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5440 7.3974 0.4543 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3918 6.6269 2.0458 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0972 7.1261 1.0758 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0820 4.2310 2.0861 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5306 2.1148 0.4624 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0690 2.8026 -1.3515 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9884 4.7078 1.9582 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4450 3.8824 2.0717 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5635 5.6576 1.5470 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2882 5.8730 -1.1953 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9074 8.0280 -1.3704 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4237 7.5096 -2.2245 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2260 7.7873 -3.6302 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4089 5.5510 -1.4488 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1727 6.4368 0.4779 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2872 5.0868 1.3638 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4425 6.6063 1.0300 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4516 3.4435 -0.1175 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5714 3.4827 -1.7000 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5039 1.7293 2.4162 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5056 1.1755 3.1048 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6472 0.8545 0.4810 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2729 -0.4930 -0.9508 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2151 0.0724 -0.4020 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2277 -0.9510 1.9584 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4019 -2.9589 0.7545 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2136 -3.8480 -1.9702 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0060 -2.5906 -1.9477 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7748 -2.2683 -1.4585 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8549 -2.6166 1.6759 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6309 -3.5727 2.4888 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6876 -5.3409 2.4283 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6518 -4.0359 1.6580 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7297 -6.4421 0.5031 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7026 -4.3715 -1.4039 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4066 -5.9507 -0.9212 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0161 -5.9480 -2.0769 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0386 -5.8120 -1.6779 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6539 -6.7407 -0.2439 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6590 -6.7768 1.7467 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4391 -4.5715 3.0066 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9516 -6.7562 -0.4230 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4414 -4.1754 -0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3600 -4.8909 -1.7994 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0984 -7.8729 1.8848 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6421 -7.5601 0.9332 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0979 -7.8158 0.1065 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8953 -5.6772 3.0051 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8622 -2.9914 2.5034 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9483 -2.6606 0.2862 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8018 -4.7147 1.7018 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5769 -5.6482 -0.7731 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7514 -7.2589 -1.8441 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4525 -6.7803 -2.2039 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6182 -8.7922 -1.3840 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7066 -6.0473 1.3453 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1517 -6.9997 -0.1562 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9171 -5.4167 0.1665 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0377 -5.6088 -1.3588 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6843 -3.5727 0.1241 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0129 -3.8611 1.7480 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0632 -1.9712 -1.3617 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3303 -0.8685 -2.9131 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2193 -1.0566 -0.8999 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4868 0.1714 0.5352 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6939 0.1779 -1.2267 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0114 0.8821 0.4677 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8243 2.5230 -1.5190 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5674 4.0775 -2.8039 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5935 2.7968 -2.1790 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9439 2.4422 -2.9720 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5034 2.2555 0.2096 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3783 2.8111 2.1797 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3637 3.8728 3.1757 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4741 4.7440 1.4872 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2027 5.1686 1.8488 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2256 7.3152 1.7768 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1009 6.2826 2.9330 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7908 6.6693 1.2606 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1939 6.5263 -0.1614 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8092 5.9075 -0.6590 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7323 6.4946 -2.8100 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4954 4.0108 -3.7489 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2190 6.5684 -0.6154 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1022 6.2325 -1.6071 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6687 3.4079 -1.4880 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
3 4 1 0
4 5 2 0
5 6 1 0
6 7 1 1
6 8 1 0
8 9 2 0
9 10 1 0
10 11 1 0
9 12 1 0
12 13 1 0
12 14 1 0
14 15 1 0
15 16 1 1
16 17 1 0
17 18 1 0
17 19 1 0
19 20 1 0
20 21 2 0
19 22 1 0
22 23 1 0
22 24 1 0
24 25 2 0
25 26 1 0
26 27 1 6
26 28 1 0
28 29 2 0
29 30 1 0
30 31 1 0
29 32 1 0
32 33 1 0
32 34 1 0
34 35 1 0
35 36 1 1
36 37 1 0
37 38 1 0
37 39 1 0
39 40 1 0
40 41 2 0
39 42 1 0
42 43 1 0
42 44 1 0
44 45 1 0
44 46 2 0
46 47 1 0
47 48 2 0
48 49 1 0
49 50 1 0
50 51 2 0
51 52 1 0
52 53 1 0
51 54 1 0
54 55 1 0
54 56 1 0
56 57 1 0
57 58 1 6
58 59 1 0
59 60 1 0
59 61 1 0
61 62 1 0
62 63 2 0
61 64 1 0
64 65 1 0
64 66 1 0
66 67 2 0
67 68 1 0
68 69 1 6
68 70 1 0
70 71 2 0
71 72 1 0
72 73 1 0
71 74 1 0
74 75 1 0
74 76 1 0
76 77 1 0
77 78 1 6
78 79 1 0
79 80 1 0
79 81 1 0
81 82 1 0
82 83 2 0
81 84 1 0
84 85 1 0
84 2 1 0
15 6 1 0
35 26 1 0
57 49 1 0
77 68 1 0
20 15 1 0
40 35 1 0
62 57 1 0
82 77 1 0
1 86 1 0
1 87 1 0
1 88 1 0
3 89 1 0
4 90 1 0
5 91 1 0
7 92 1 0
7 93 1 0
7 94 1 0
8 95 1 0
10 96 1 0
10 97 1 0
11 98 1 0
12 99 1 6
13100 1 0
13101 1 0
13102 1 0
14103 1 0
14104 1 0
17105 1 1
18106 1 0
19107 1 1
22108 1 6
23109 1 0
24110 1 0
25111 1 0
27112 1 0
27113 1 0
27114 1 0
28115 1 0
30116 1 0
30117 1 0
31118 1 0
32119 1 1
33120 1 0
33121 1 0
33122 1 0
34123 1 0
34124 1 0
37125 1 1
38126 1 0
39127 1 6
42128 1 6
43129 1 0
45130 1 0
45131 1 0
45132 1 0
46133 1 0
47134 1 0
48135 1 0
49136 1 1
50137 1 0
52138 1 0
52139 1 0
53140 1 0
54141 1 1
55142 1 0
55143 1 0
55144 1 0
56145 1 0
56146 1 0
59147 1 6
60148 1 0
61149 1 6
64150 1 1
65151 1 0
66152 1 0
67153 1 0
69154 1 0
69155 1 0
69156 1 0
70157 1 0
72158 1 0
72159 1 0
73160 1 0
74161 1 1
75162 1 0
75163 1 0
75164 1 0
76165 1 0
76166 1 0
79167 1 6
80168 1 0
81169 1 1
84170 1 6
85171 1 0
M END
3D SDF for NP0004753 (Quartromicin D3)
Mrv1652307012117553D
171179 0 0 0 0 999 V2000
0.0792 6.6685 1.0437 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0819 5.3510 0.3583 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2940 4.2680 0.9956 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9214 3.1495 0.3464 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9913 3.3208 -0.3952 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1344 4.1895 0.0032 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.9729 4.6499 1.4604 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2319 5.3983 -0.8130 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3912 5.9455 -1.1170 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4500 7.1886 -1.9566 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.1722 6.9495 -3.1153 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.6454 5.3230 -0.6405 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.2102 5.9173 0.6055 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5492 3.8194 -0.6386 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.3367 3.2812 0.0189 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.6937 2.9236 1.3192 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2788 1.6609 1.5965 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.3469 0.9708 2.1711 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7404 1.0169 0.3795 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.0541 1.9671 -0.6845 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0770 1.7310 -1.8679 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3911 -0.3754 0.1321 C 0 0 2 0 0 0 0 0 0 0 0 0
-5.7445 -0.2658 0.3994 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6381 -1.2897 0.9861 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4192 -2.5348 0.6191 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5483 -3.3144 0.0402 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.8914 -2.9440 -1.3684 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7127 -3.3916 0.9444 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5506 -4.3878 0.8705 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7136 -4.4247 1.8027 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.9219 -4.4221 1.1082 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.4268 -5.5252 -0.0898 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.4720 -5.4375 -1.1800 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0343 -5.7207 -0.5744 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.0294 -4.7638 -0.0150 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.7762 -5.0964 1.3105 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5366 -5.7072 1.3984 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.8392 -5.0724 2.3979 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9075 -5.7560 0.0648 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.7599 -4.8205 -0.7377 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4249 -4.2707 -1.7393 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4935 -5.2825 -0.0474 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.0689 -5.6529 -1.3271 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3223 -5.8870 1.0384 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5539 -7.3615 1.0108 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8396 -5.1686 2.0210 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2702 -3.8024 1.8529 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1743 -3.5231 0.9300 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4122 -4.2575 0.7466 C 0 0 1 0 0 0 0 0 0 0 0 0
3.4324 -5.3463 -0.2381 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6028 -5.9318 -0.4159 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7389 -7.0634 -1.4058 C 0 0 1 0 0 0 0 0 0 0 0 0
5.1706 -8.1968 -0.7192 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7747 -5.4667 0.3767 C 0 0 1 0 0 0 0 0 0 0 0 0
7.0500 -5.9211 -0.3031 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8131 -3.9973 0.6431 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5242 -3.3256 0.2982 C 0 0 1 0 0 0 0 0 0 0 0 0
4.4628 -3.2959 -1.1195 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9760 -2.0477 -1.4905 C 0 0 1 0 0 0 0 0 0 0 0 0
4.6024 -1.8200 -2.8074 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2338 -1.1529 -0.5148 C 0 0 1 0 0 0 0 0 0 0 0 0
4.3773 -1.9396 0.7290 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3775 -1.5506 1.8775 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9034 0.2400 -0.4038 C 0 0 1 0 0 0 0 0 0 0 0 0
5.7313 0.3060 -1.4586 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8130 1.1567 -0.2491 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7218 2.2478 -0.9152 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8418 3.2107 -0.9051 C 0 0 2 0 0 0 0 0 0 0 0 0
5.5249 3.0784 -2.2737 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7864 3.1500 0.1856 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9091 4.0310 1.1420 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9513 3.8135 2.2127 C 0 0 2 0 0 0 0 0 0 0 0 0
7.8614 4.8409 2.2463 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1122 5.2639 1.2587 C 0 0 1 0 0 0 0 0 0 0 0 0
5.9080 6.4191 1.8624 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8574 5.6546 -0.1900 C 0 0 1 0 0 0 0 0 0 0 0 0
4.1537 4.5649 -0.9287 C 0 0 1 0 0 0 0 0 0 0 0 0
3.9801 5.0230 -2.2297 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6838 5.4555 -2.4046 C 0 0 1 0 0 0 0 0 0 0 0 0
1.9509 4.7006 -3.2863 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0295 5.5556 -1.0425 C 0 0 2 0 0 0 0 0 0 0 0 0
2.7837 4.5015 -0.3404 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3596 3.7803 0.5029 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5404 5.3597 -1.0623 C 0 0 1 0 0 0 0 0 0 0 0 0
0.2376 4.2336 -1.7704 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5440 7.3974 0.4543 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3918 6.6269 2.0458 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0972 7.1261 1.0758 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0820 4.2310 2.0861 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5306 2.1148 0.4624 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0690 2.8026 -1.3515 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9884 4.7078 1.9582 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4450 3.8824 2.0717 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5635 5.6576 1.5470 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2882 5.8730 -1.1953 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9074 8.0280 -1.3704 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4237 7.5096 -2.2245 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2260 7.7873 -3.6302 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4089 5.5510 -1.4488 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1727 6.4368 0.4779 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2872 5.0868 1.3638 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4425 6.6063 1.0300 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4516 3.4435 -0.1175 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5714 3.4827 -1.7000 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5039 1.7293 2.4162 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5056 1.1755 3.1048 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6472 0.8545 0.4810 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2729 -0.4930 -0.9508 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2151 0.0724 -0.4020 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2277 -0.9510 1.9584 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4019 -2.9589 0.7545 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2136 -3.8480 -1.9702 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0060 -2.5906 -1.9477 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7748 -2.2683 -1.4585 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8549 -2.6166 1.6759 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6309 -3.5727 2.4888 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6876 -5.3409 2.4283 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6518 -4.0359 1.6580 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7297 -6.4421 0.5031 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7026 -4.3715 -1.4039 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4066 -5.9507 -0.9212 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0161 -5.9480 -2.0769 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0386 -5.8120 -1.6779 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6539 -6.7407 -0.2439 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6590 -6.7768 1.7467 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4391 -4.5715 3.0066 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9516 -6.7562 -0.4230 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4414 -4.1754 -0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3600 -4.8909 -1.7994 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0984 -7.8729 1.8848 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6421 -7.5601 0.9332 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0979 -7.8158 0.1065 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8953 -5.6772 3.0051 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8622 -2.9914 2.5034 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9483 -2.6606 0.2862 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8018 -4.7147 1.7018 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5769 -5.6482 -0.7731 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7514 -7.2589 -1.8441 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4525 -6.7803 -2.2039 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6182 -8.7922 -1.3840 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7066 -6.0473 1.3453 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1517 -6.9997 -0.1562 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9171 -5.4167 0.1665 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0377 -5.6088 -1.3588 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6843 -3.5727 0.1241 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0129 -3.8611 1.7480 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0632 -1.9712 -1.3617 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3303 -0.8685 -2.9131 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2193 -1.0566 -0.8999 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4868 0.1714 0.5352 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6939 0.1779 -1.2267 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0114 0.8821 0.4677 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8243 2.5230 -1.5190 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5674 4.0775 -2.8039 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5935 2.7968 -2.1790 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9439 2.4422 -2.9720 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5034 2.2555 0.2096 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3783 2.8111 2.1797 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3637 3.8728 3.1757 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4741 4.7440 1.4872 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2027 5.1686 1.8488 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2256 7.3152 1.7768 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1009 6.2826 2.9330 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7908 6.6693 1.2606 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1939 6.5263 -0.1614 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8092 5.9075 -0.6590 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7323 6.4946 -2.8100 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4954 4.0108 -3.7489 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2190 6.5684 -0.6154 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1022 6.2325 -1.6071 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6687 3.4079 -1.4880 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 7 1 1 0 0 0
6 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
9 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 1 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
17 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
19 22 1 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
26 27 1 6 0 0 0
26 28 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
29 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
35 36 1 1 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
37 39 1 0 0 0 0
39 40 1 0 0 0 0
40 41 2 0 0 0 0
39 42 1 0 0 0 0
42 43 1 0 0 0 0
42 44 1 0 0 0 0
44 45 1 0 0 0 0
44 46 2 0 0 0 0
46 47 1 0 0 0 0
47 48 2 0 0 0 0
48 49 1 0 0 0 0
49 50 1 0 0 0 0
50 51 2 0 0 0 0
51 52 1 0 0 0 0
52 53 1 0 0 0 0
51 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 6 0 0 0
58 59 1 0 0 0 0
59 60 1 0 0 0 0
59 61 1 0 0 0 0
61 62 1 0 0 0 0
62 63 2 0 0 0 0
61 64 1 0 0 0 0
64 65 1 0 0 0 0
64 66 1 0 0 0 0
66 67 2 0 0 0 0
67 68 1 0 0 0 0
68 69 1 6 0 0 0
68 70 1 0 0 0 0
70 71 2 0 0 0 0
71 72 1 0 0 0 0
72 73 1 0 0 0 0
71 74 1 0 0 0 0
74 75 1 0 0 0 0
74 76 1 0 0 0 0
76 77 1 0 0 0 0
77 78 1 6 0 0 0
78 79 1 0 0 0 0
79 80 1 0 0 0 0
79 81 1 0 0 0 0
81 82 1 0 0 0 0
82 83 2 0 0 0 0
81 84 1 0 0 0 0
84 85 1 0 0 0 0
84 2 1 0 0 0 0
15 6 1 0 0 0 0
35 26 1 0 0 0 0
57 49 1 0 0 0 0
77 68 1 0 0 0 0
20 15 1 0 0 0 0
40 35 1 0 0 0 0
62 57 1 0 0 0 0
82 77 1 0 0 0 0
1 86 1 0 0 0 0
1 87 1 0 0 0 0
1 88 1 0 0 0 0
3 89 1 0 0 0 0
4 90 1 0 0 0 0
5 91 1 0 0 0 0
7 92 1 0 0 0 0
7 93 1 0 0 0 0
7 94 1 0 0 0 0
8 95 1 0 0 0 0
10 96 1 0 0 0 0
10 97 1 0 0 0 0
11 98 1 0 0 0 0
12 99 1 6 0 0 0
13100 1 0 0 0 0
13101 1 0 0 0 0
13102 1 0 0 0 0
14103 1 0 0 0 0
14104 1 0 0 0 0
17105 1 1 0 0 0
18106 1 0 0 0 0
19107 1 1 0 0 0
22108 1 6 0 0 0
23109 1 0 0 0 0
24110 1 0 0 0 0
25111 1 0 0 0 0
27112 1 0 0 0 0
27113 1 0 0 0 0
27114 1 0 0 0 0
28115 1 0 0 0 0
30116 1 0 0 0 0
30117 1 0 0 0 0
31118 1 0 0 0 0
32119 1 1 0 0 0
33120 1 0 0 0 0
33121 1 0 0 0 0
33122 1 0 0 0 0
34123 1 0 0 0 0
34124 1 0 0 0 0
37125 1 1 0 0 0
38126 1 0 0 0 0
39127 1 6 0 0 0
42128 1 6 0 0 0
43129 1 0 0 0 0
45130 1 0 0 0 0
45131 1 0 0 0 0
45132 1 0 0 0 0
46133 1 0 0 0 0
47134 1 0 0 0 0
48135 1 0 0 0 0
49136 1 1 0 0 0
50137 1 0 0 0 0
52138 1 0 0 0 0
52139 1 0 0 0 0
53140 1 0 0 0 0
54141 1 1 0 0 0
55142 1 0 0 0 0
55143 1 0 0 0 0
55144 1 0 0 0 0
56145 1 0 0 0 0
56146 1 0 0 0 0
59147 1 6 0 0 0
60148 1 0 0 0 0
61149 1 6 0 0 0
64150 1 1 0 0 0
65151 1 0 0 0 0
66152 1 0 0 0 0
67153 1 0 0 0 0
69154 1 0 0 0 0
69155 1 0 0 0 0
69156 1 0 0 0 0
70157 1 0 0 0 0
72158 1 0 0 0 0
72159 1 0 0 0 0
73160 1 0 0 0 0
74161 1 1 0 0 0
75162 1 0 0 0 0
75163 1 0 0 0 0
75164 1 0 0 0 0
76165 1 0 0 0 0
76166 1 0 0 0 0
79167 1 6 0 0 0
80168 1 0 0 0 0
81169 1 1 0 0 0
84170 1 6 0 0 0
85171 1 0 0 0 0
M END
> <DATABASE_ID>
NP0004753
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H]OC([H])([H])C1=C([H])[C@]2([H])\C([H])=C(\[H])/C(/[H])=C(C([H])([H])[H])\[C@@]([H])(O[H])[C@]3([H])C(=O)[C@]4(O[C@]3([H])O[H])C([H])([H])[C@@]([H])(C(=C([H])[C@]4(\C([H])=C([H])/[C@@]([H])(O[H])[C@@]3([H])C(=O)[C@]4(O[C@@]3([H])O[H])C([H])([H])[C@]([H])(C(=C([H])[C@@]4(\C([H])=C(\[H])/C(/[H])=C(C([H])([H])[H])\[C@]([H])(O[H])[C@@]3([H])C(=O)[C@@]4(O[C@@]3([H])O[H])C([H])([H])[C@@]([H])(C(=C([H])[C@]4(\C([H])=C([H])/[C@]([H])(O[H])[C@]3([H])C(=O)[C@@]2(O[C@@]3([H])O[H])C([H])([H])[C@]1([H])C([H])([H])[H])C([H])([H])[H])C([H])([H])O[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])O[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])O[H])C([H])([H])[H]
> <INCHI_IDENTIFIER>
InChI=1S/C65H86O20/c1-32-12-10-14-42-20-38(28-66)34(3)21-62(42)51(74)45(55(78)82-62)43(70)15-18-60(8)26-40(30-68)37(6)24-65(60)54(77)48(58(81)85-65)50(73)33(2)13-11-17-59(7)25-39(29-67)35(4)22-63(59)52(75)46(56(79)83-63)44(71)16-19-61(9)27-41(31-69)36(5)23-64(61)53(76)47(49(32)72)57(80)84-64/h10-20,25-27,34-37,42-50,55-58,66-73,78-81H,21-24,28-31H2,1-9H3/b14-10-,17-11-,18-15-,19-16-,32-12-,33-13-/t34-,35+,36-,37-,42-,43-,44+,45+,46-,47+,48-,49+,50-,55+,56+,57-,58+,59-,60+,61+,62+,63+,64+,65-/m0/s1
> <INCHI_KEY>
MVLBVZMWXZPUSM-RMGFBMTASA-N
> <FORMULA>
C65H86O20
> <MOLECULAR_WEIGHT>
1187.383
> <EXACT_MASS>
1186.571245169
> <JCHEM_ACCEPTOR_COUNT>
20
> <JCHEM_ATOM_COUNT>
171
> <JCHEM_AVERAGE_POLARIZABILITY>
126.49478945563217
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
12
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
(1S,3S,6R,7Z,9R,10R,11R,13S,15R,18S,19Z,21Z,23R,24R,25R,27R,29S,32R,33Z,35S,36S,37R,39R,41S,44S,45Z,47Z,49S,50S,51S)-9,11,23,25,35,37,49,51-octahydroxy-4,16,30,42-tetrakis(hydroxymethyl)-3,6,15,18,22,29,32,41,48-nonamethyl-12,26,38,52-tetraoxanonacyclo[48.2.1.1^{10,13}.1^{24,27}.1^{36,39}.0^{1,6}.0^{13,18}.0^{27,32}.0^{39,44}]hexapentaconta-4,7,16,19,21,30,33,42,45,47-decaene-53,54,55,56-tetrone
> <ALOGPS_LOGP>
1.92
> <JCHEM_LOGP>
2.168588127999997
> <ALOGPS_LOGS>
-4.56
> <JCHEM_MDDR_LIKE_RULE>
0
> <JCHEM_NUMBER_OF_RINGS>
9
> <JCHEM_PHYSIOLOGICAL_CHARGE>
0
> <JCHEM_PKA>
11.138041954709129
> <JCHEM_PKA_STRONGEST_ACIDIC>
10.717657088169323
> <JCHEM_PKA_STRONGEST_BASIC>
-4.15795932975725
> <JCHEM_POLAR_SURFACE_AREA>
347.96000000000004
> <JCHEM_REFRACTIVITY>
318.0647
> <JCHEM_ROTATABLE_BOND_COUNT>
4
> <JCHEM_RULE_OF_FIVE>
0
> <ALOGPS_SOLUBILITY>
3.24e-02 g/l
> <JCHEM_TRADITIONAL_IUPAC>
(1S,3S,6R,7Z,9R,10R,11R,13S,15R,18S,19Z,21Z,23R,24R,25R,27R,29S,32R,33Z,35S,36S,37R,39R,41S,44S,45Z,47Z,49S,50S,51S)-9,11,23,25,35,37,49,51-octahydroxy-4,16,30,42-tetrakis(hydroxymethyl)-3,6,15,18,22,29,32,41,48-nonamethyl-12,26,38,52-tetraoxanonacyclo[48.2.1.1^{10,13}.1^{24,27}.1^{36,39}.0^{1,6}.0^{13,18}.0^{27,32}.0^{39,44}]hexapentaconta-4,7,16,19,21,30,33,42,45,47-decaene-53,54,55,56-tetrone
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0004753 (Quartromicin D3)
RDKit 3D
171179 0 0 0 0 0 0 0 0999 V2000
0.0792 6.6685 1.0437 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0819 5.3510 0.3583 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2940 4.2680 0.9956 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9214 3.1495 0.3464 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9913 3.3208 -0.3952 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1344 4.1895 0.0032 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.9729 4.6499 1.4604 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2319 5.3983 -0.8130 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3912 5.9455 -1.1170 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4500 7.1886 -1.9566 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1722 6.9495 -3.1153 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.6454 5.3230 -0.6405 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.2102 5.9173 0.6055 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5492 3.8194 -0.6386 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3367 3.2812 0.0189 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.6937 2.9236 1.3192 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2788 1.6609 1.5965 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.3469 0.9708 2.1711 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7404 1.0169 0.3795 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.0541 1.9671 -0.6845 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0770 1.7310 -1.8679 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3911 -0.3754 0.1321 C 0 0 2 0 0 0 0 0 0 0 0 0
-5.7445 -0.2658 0.3994 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6381 -1.2897 0.9861 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4192 -2.5348 0.6191 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5483 -3.3144 0.0402 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.8914 -2.9440 -1.3684 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7127 -3.3916 0.9444 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5506 -4.3878 0.8705 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7136 -4.4247 1.8027 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.9219 -4.4221 1.1082 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.4268 -5.5252 -0.0898 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.4720 -5.4375 -1.1800 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0343 -5.7207 -0.5744 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0294 -4.7638 -0.0150 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.7762 -5.0964 1.3105 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5366 -5.7072 1.3984 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.8392 -5.0724 2.3979 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9075 -5.7560 0.0648 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.7599 -4.8205 -0.7377 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4249 -4.2707 -1.7393 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4935 -5.2825 -0.0474 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.0689 -5.6529 -1.3271 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3223 -5.8870 1.0384 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5539 -7.3615 1.0108 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8396 -5.1686 2.0210 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2702 -3.8024 1.8529 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1743 -3.5231 0.9300 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4122 -4.2575 0.7466 C 0 0 1 0 0 0 0 0 0 0 0 0
3.4324 -5.3463 -0.2381 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6028 -5.9318 -0.4159 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7389 -7.0634 -1.4058 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1706 -8.1968 -0.7192 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7747 -5.4667 0.3767 C 0 0 1 0 0 0 0 0 0 0 0 0
7.0500 -5.9211 -0.3031 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8131 -3.9973 0.6431 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5242 -3.3256 0.2982 C 0 0 1 0 0 0 0 0 0 0 0 0
4.4628 -3.2959 -1.1195 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9760 -2.0477 -1.4905 C 0 0 1 0 0 0 0 0 0 0 0 0
4.6024 -1.8200 -2.8074 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2338 -1.1529 -0.5148 C 0 0 1 0 0 0 0 0 0 0 0 0
4.3773 -1.9396 0.7290 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3775 -1.5506 1.8775 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9034 0.2400 -0.4038 C 0 0 1 0 0 0 0 0 0 0 0 0
5.7313 0.3060 -1.4586 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8130 1.1567 -0.2491 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7218 2.2478 -0.9152 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8418 3.2107 -0.9051 C 0 0 2 0 0 0 0 0 0 0 0 0
5.5249 3.0784 -2.2737 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7864 3.1500 0.1856 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9091 4.0310 1.1420 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9513 3.8135 2.2127 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8614 4.8409 2.2463 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1122 5.2639 1.2587 C 0 0 1 0 0 0 0 0 0 0 0 0
5.9080 6.4191 1.8624 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8574 5.6546 -0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1537 4.5649 -0.9287 C 0 0 1 0 0 0 0 0 0 0 0 0
3.9801 5.0230 -2.2297 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6838 5.4555 -2.4046 C 0 0 1 0 0 0 0 0 0 0 0 0
1.9509 4.7006 -3.2863 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0295 5.5556 -1.0425 C 0 0 2 0 0 0 0 0 0 0 0 0
2.7837 4.5015 -0.3404 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3596 3.7803 0.5029 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5404 5.3597 -1.0623 C 0 0 1 0 0 0 0 0 0 0 0 0
0.2376 4.2336 -1.7704 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5440 7.3974 0.4543 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3918 6.6269 2.0458 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0972 7.1261 1.0758 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0820 4.2310 2.0861 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5306 2.1148 0.4624 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0690 2.8026 -1.3515 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9884 4.7078 1.9582 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4450 3.8824 2.0717 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5635 5.6576 1.5470 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2882 5.8730 -1.1953 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9074 8.0280 -1.3704 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4237 7.5096 -2.2245 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2260 7.7873 -3.6302 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4089 5.5510 -1.4488 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1727 6.4368 0.4779 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2872 5.0868 1.3638 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4425 6.6063 1.0300 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4516 3.4435 -0.1175 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5714 3.4827 -1.7000 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5039 1.7293 2.4162 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5056 1.1755 3.1048 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6472 0.8545 0.4810 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2729 -0.4930 -0.9508 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2151 0.0724 -0.4020 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2277 -0.9510 1.9584 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4019 -2.9589 0.7545 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2136 -3.8480 -1.9702 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0060 -2.5906 -1.9477 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7748 -2.2683 -1.4585 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8549 -2.6166 1.6759 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6309 -3.5727 2.4888 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6876 -5.3409 2.4283 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6518 -4.0359 1.6580 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7297 -6.4421 0.5031 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7026 -4.3715 -1.4039 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4066 -5.9507 -0.9212 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0161 -5.9480 -2.0769 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0386 -5.8120 -1.6779 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6539 -6.7407 -0.2439 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6590 -6.7768 1.7467 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4391 -4.5715 3.0066 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9516 -6.7562 -0.4230 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4414 -4.1754 -0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3600 -4.8909 -1.7994 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0984 -7.8729 1.8848 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6421 -7.5601 0.9332 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0979 -7.8158 0.1065 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8953 -5.6772 3.0051 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8622 -2.9914 2.5034 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9483 -2.6606 0.2862 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8018 -4.7147 1.7018 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5769 -5.6482 -0.7731 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7514 -7.2589 -1.8441 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4525 -6.7803 -2.2039 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6182 -8.7922 -1.3840 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7066 -6.0473 1.3453 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1517 -6.9997 -0.1562 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9171 -5.4167 0.1665 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0377 -5.6088 -1.3588 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6843 -3.5727 0.1241 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0129 -3.8611 1.7480 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0632 -1.9712 -1.3617 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3303 -0.8685 -2.9131 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2193 -1.0566 -0.8999 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4868 0.1714 0.5352 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6939 0.1779 -1.2267 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0114 0.8821 0.4677 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8243 2.5230 -1.5190 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5674 4.0775 -2.8039 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5935 2.7968 -2.1790 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9439 2.4422 -2.9720 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5034 2.2555 0.2096 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3783 2.8111 2.1797 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3637 3.8728 3.1757 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4741 4.7440 1.4872 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2027 5.1686 1.8488 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2256 7.3152 1.7768 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1009 6.2826 2.9330 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7908 6.6693 1.2606 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1939 6.5263 -0.1614 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8092 5.9075 -0.6590 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7323 6.4946 -2.8100 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4954 4.0108 -3.7489 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2190 6.5684 -0.6154 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1022 6.2325 -1.6071 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6687 3.4079 -1.4880 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
3 4 1 0
4 5 2 0
5 6 1 0
6 7 1 1
6 8 1 0
8 9 2 0
9 10 1 0
10 11 1 0
9 12 1 0
12 13 1 0
12 14 1 0
14 15 1 0
15 16 1 1
16 17 1 0
17 18 1 0
17 19 1 0
19 20 1 0
20 21 2 0
19 22 1 0
22 23 1 0
22 24 1 0
24 25 2 0
25 26 1 0
26 27 1 6
26 28 1 0
28 29 2 0
29 30 1 0
30 31 1 0
29 32 1 0
32 33 1 0
32 34 1 0
34 35 1 0
35 36 1 1
36 37 1 0
37 38 1 0
37 39 1 0
39 40 1 0
40 41 2 0
39 42 1 0
42 43 1 0
42 44 1 0
44 45 1 0
44 46 2 0
46 47 1 0
47 48 2 0
48 49 1 0
49 50 1 0
50 51 2 0
51 52 1 0
52 53 1 0
51 54 1 0
54 55 1 0
54 56 1 0
56 57 1 0
57 58 1 6
58 59 1 0
59 60 1 0
59 61 1 0
61 62 1 0
62 63 2 0
61 64 1 0
64 65 1 0
64 66 1 0
66 67 2 0
67 68 1 0
68 69 1 6
68 70 1 0
70 71 2 0
71 72 1 0
72 73 1 0
71 74 1 0
74 75 1 0
74 76 1 0
76 77 1 0
77 78 1 6
78 79 1 0
79 80 1 0
79 81 1 0
81 82 1 0
82 83 2 0
81 84 1 0
84 85 1 0
84 2 1 0
15 6 1 0
35 26 1 0
57 49 1 0
77 68 1 0
20 15 1 0
40 35 1 0
62 57 1 0
82 77 1 0
1 86 1 0
1 87 1 0
1 88 1 0
3 89 1 0
4 90 1 0
5 91 1 0
7 92 1 0
7 93 1 0
7 94 1 0
8 95 1 0
10 96 1 0
10 97 1 0
11 98 1 0
12 99 1 6
13100 1 0
13101 1 0
13102 1 0
14103 1 0
14104 1 0
17105 1 1
18106 1 0
19107 1 1
22108 1 6
23109 1 0
24110 1 0
25111 1 0
27112 1 0
27113 1 0
27114 1 0
28115 1 0
30116 1 0
30117 1 0
31118 1 0
32119 1 1
33120 1 0
33121 1 0
33122 1 0
34123 1 0
34124 1 0
37125 1 1
38126 1 0
39127 1 6
42128 1 6
43129 1 0
45130 1 0
45131 1 0
45132 1 0
46133 1 0
47134 1 0
48135 1 0
49136 1 1
50137 1 0
52138 1 0
52139 1 0
53140 1 0
54141 1 1
55142 1 0
55143 1 0
55144 1 0
56145 1 0
56146 1 0
59147 1 6
60148 1 0
61149 1 6
64150 1 1
65151 1 0
66152 1 0
67153 1 0
69154 1 0
69155 1 0
69156 1 0
70157 1 0
72158 1 0
72159 1 0
73160 1 0
74161 1 1
75162 1 0
75163 1 0
75164 1 0
76165 1 0
76166 1 0
79167 1 6
80168 1 0
81169 1 1
84170 1 6
85171 1 0
M END
PDB for NP0004753 (Quartromicin D3)HEADER PROTEIN 01-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 01-JUL-21 0 HETATM 1 C UNK 0 0.079 6.668 1.044 0.00 0.00 C+0 HETATM 2 C UNK 0 0.082 5.351 0.358 0.00 0.00 C+0 HETATM 3 C UNK 0 -0.294 4.268 0.996 0.00 0.00 C+0 HETATM 4 C UNK 0 -0.921 3.150 0.346 0.00 0.00 C+0 HETATM 5 C UNK 0 -1.991 3.321 -0.395 0.00 0.00 C+0 HETATM 6 C UNK 0 -3.134 4.189 0.003 0.00 0.00 C+0 HETATM 7 C UNK 0 -2.973 4.650 1.460 0.00 0.00 C+0 HETATM 8 C UNK 0 -3.232 5.398 -0.813 0.00 0.00 C+0 HETATM 9 C UNK 0 -4.391 5.946 -1.117 0.00 0.00 C+0 HETATM 10 C UNK 0 -4.450 7.189 -1.957 0.00 0.00 C+0 HETATM 11 O UNK 0 -5.172 6.949 -3.115 0.00 0.00 O+0 HETATM 12 C UNK 0 -5.645 5.323 -0.641 0.00 0.00 C+0 HETATM 13 C UNK 0 -6.210 5.917 0.606 0.00 0.00 C+0 HETATM 14 C UNK 0 -5.549 3.819 -0.639 0.00 0.00 C+0 HETATM 15 C UNK 0 -4.337 3.281 0.019 0.00 0.00 C+0 HETATM 16 O UNK 0 -4.694 2.924 1.319 0.00 0.00 O+0 HETATM 17 C UNK 0 -4.279 1.661 1.597 0.00 0.00 C+0 HETATM 18 O UNK 0 -5.347 0.971 2.171 0.00 0.00 O+0 HETATM 19 C UNK 0 -3.740 1.017 0.380 0.00 0.00 C+0 HETATM 20 C UNK 0 -4.054 1.967 -0.685 0.00 0.00 C+0 HETATM 21 O UNK 0 -4.077 1.731 -1.868 0.00 0.00 O+0 HETATM 22 C UNK 0 -4.391 -0.375 0.132 0.00 0.00 C+0 HETATM 23 O UNK 0 -5.745 -0.266 0.399 0.00 0.00 O+0 HETATM 24 C UNK 0 -3.638 -1.290 0.986 0.00 0.00 C+0 HETATM 25 C UNK 0 -3.419 -2.535 0.619 0.00 0.00 C+0 HETATM 26 C UNK 0 -4.548 -3.314 0.040 0.00 0.00 C+0 HETATM 27 C UNK 0 -4.891 -2.944 -1.368 0.00 0.00 C+0 HETATM 28 C UNK 0 -5.713 -3.392 0.944 0.00 0.00 C+0 HETATM 29 C UNK 0 -6.551 -4.388 0.871 0.00 0.00 C+0 HETATM 30 C UNK 0 -7.714 -4.425 1.803 0.00 0.00 C+0 HETATM 31 O UNK 0 -8.922 -4.422 1.108 0.00 0.00 O+0 HETATM 32 C UNK 0 -6.427 -5.525 -0.090 0.00 0.00 C+0 HETATM 33 C UNK 0 -7.472 -5.438 -1.180 0.00 0.00 C+0 HETATM 34 C UNK 0 -5.034 -5.721 -0.574 0.00 0.00 C+0 HETATM 35 C UNK 0 -4.029 -4.764 -0.015 0.00 0.00 C+0 HETATM 36 O UNK 0 -3.776 -5.096 1.311 0.00 0.00 O+0 HETATM 37 C UNK 0 -2.537 -5.707 1.398 0.00 0.00 C+0 HETATM 38 O UNK 0 -1.839 -5.072 2.398 0.00 0.00 O+0 HETATM 39 C UNK 0 -1.908 -5.756 0.065 0.00 0.00 C+0 HETATM 40 C UNK 0 -2.760 -4.821 -0.738 0.00 0.00 C+0 HETATM 41 O UNK 0 -2.425 -4.271 -1.739 0.00 0.00 O+0 HETATM 42 C UNK 0 -0.494 -5.282 -0.047 0.00 0.00 C+0 HETATM 43 O UNK 0 -0.069 -5.653 -1.327 0.00 0.00 O+0 HETATM 44 C UNK 0 0.322 -5.887 1.038 0.00 0.00 C+0 HETATM 45 C UNK 0 0.554 -7.362 1.011 0.00 0.00 C+0 HETATM 46 C UNK 0 0.840 -5.169 2.021 0.00 0.00 C+0 HETATM 47 C UNK 0 1.270 -3.802 1.853 0.00 0.00 C+0 HETATM 48 C UNK 0 2.174 -3.523 0.930 0.00 0.00 C+0 HETATM 49 C UNK 0 3.412 -4.258 0.747 0.00 0.00 C+0 HETATM 50 C UNK 0 3.432 -5.346 -0.238 0.00 0.00 C+0 HETATM 51 C UNK 0 4.603 -5.932 -0.416 0.00 0.00 C+0 HETATM 52 C UNK 0 4.739 -7.063 -1.406 0.00 0.00 C+0 HETATM 53 O UNK 0 5.171 -8.197 -0.719 0.00 0.00 O+0 HETATM 54 C UNK 0 5.775 -5.467 0.377 0.00 0.00 C+0 HETATM 55 C UNK 0 7.050 -5.921 -0.303 0.00 0.00 C+0 HETATM 56 C UNK 0 5.813 -3.997 0.643 0.00 0.00 C+0 HETATM 57 C UNK 0 4.524 -3.326 0.298 0.00 0.00 C+0 HETATM 58 O UNK 0 4.463 -3.296 -1.119 0.00 0.00 O+0 HETATM 59 C UNK 0 4.976 -2.048 -1.490 0.00 0.00 C+0 HETATM 60 O UNK 0 4.602 -1.820 -2.807 0.00 0.00 O+0 HETATM 61 C UNK 0 4.234 -1.153 -0.515 0.00 0.00 C+0 HETATM 62 C UNK 0 4.377 -1.940 0.729 0.00 0.00 C+0 HETATM 63 O UNK 0 4.378 -1.551 1.878 0.00 0.00 O+0 HETATM 64 C UNK 0 4.903 0.240 -0.404 0.00 0.00 C+0 HETATM 65 O UNK 0 5.731 0.306 -1.459 0.00 0.00 O+0 HETATM 66 C UNK 0 3.813 1.157 -0.249 0.00 0.00 C+0 HETATM 67 C UNK 0 3.722 2.248 -0.915 0.00 0.00 C+0 HETATM 68 C UNK 0 4.842 3.211 -0.905 0.00 0.00 C+0 HETATM 69 C UNK 0 5.525 3.078 -2.274 0.00 0.00 C+0 HETATM 70 C UNK 0 5.786 3.150 0.186 0.00 0.00 C+0 HETATM 71 C UNK 0 5.909 4.031 1.142 0.00 0.00 C+0 HETATM 72 C UNK 0 6.951 3.813 2.213 0.00 0.00 C+0 HETATM 73 O UNK 0 7.861 4.841 2.246 0.00 0.00 O+0 HETATM 74 C UNK 0 5.112 5.264 1.259 0.00 0.00 C+0 HETATM 75 C UNK 0 5.908 6.419 1.862 0.00 0.00 C+0 HETATM 76 C UNK 0 4.857 5.655 -0.190 0.00 0.00 C+0 HETATM 77 C UNK 0 4.154 4.565 -0.929 0.00 0.00 C+0 HETATM 78 O UNK 0 3.980 5.023 -2.230 0.00 0.00 O+0 HETATM 79 C UNK 0 2.684 5.455 -2.405 0.00 0.00 C+0 HETATM 80 O UNK 0 1.951 4.701 -3.286 0.00 0.00 O+0 HETATM 81 C UNK 0 2.030 5.556 -1.042 0.00 0.00 C+0 HETATM 82 C UNK 0 2.784 4.502 -0.340 0.00 0.00 C+0 HETATM 83 O UNK 0 2.360 3.780 0.503 0.00 0.00 O+0 HETATM 84 C UNK 0 0.540 5.360 -1.062 0.00 0.00 C+0 HETATM 85 O UNK 0 0.238 4.234 -1.770 0.00 0.00 O+0 HETATM 86 H UNK 0 -0.544 7.397 0.454 0.00 0.00 H+0 HETATM 87 H UNK 0 -0.392 6.627 2.046 0.00 0.00 H+0 HETATM 88 H UNK 0 1.097 7.126 1.076 0.00 0.00 H+0 HETATM 89 H UNK 0 -0.082 4.231 2.086 0.00 0.00 H+0 HETATM 90 H UNK 0 -0.531 2.115 0.462 0.00 0.00 H+0 HETATM 91 H UNK 0 -2.069 2.803 -1.351 0.00 0.00 H+0 HETATM 92 H UNK 0 -3.988 4.708 1.958 0.00 0.00 H+0 HETATM 93 H UNK 0 -2.445 3.882 2.072 0.00 0.00 H+0 HETATM 94 H UNK 0 -2.563 5.658 1.547 0.00 0.00 H+0 HETATM 95 H UNK 0 -2.288 5.873 -1.195 0.00 0.00 H+0 HETATM 96 H UNK 0 -4.907 8.028 -1.370 0.00 0.00 H+0 HETATM 97 H UNK 0 -3.424 7.510 -2.224 0.00 0.00 H+0 HETATM 98 H UNK 0 -5.226 7.787 -3.630 0.00 0.00 H+0 HETATM 99 H UNK 0 -6.409 5.551 -1.449 0.00 0.00 H+0 HETATM 100 H UNK 0 -7.173 6.437 0.478 0.00 0.00 H+0 HETATM 101 H UNK 0 -6.287 5.087 1.364 0.00 0.00 H+0 HETATM 102 H UNK 0 -5.442 6.606 1.030 0.00 0.00 H+0 HETATM 103 H UNK 0 -6.452 3.443 -0.118 0.00 0.00 H+0 HETATM 104 H UNK 0 -5.571 3.483 -1.700 0.00 0.00 H+0 HETATM 105 H UNK 0 -3.504 1.729 2.416 0.00 0.00 H+0 HETATM 106 H UNK 0 -5.506 1.176 3.105 0.00 0.00 H+0 HETATM 107 H UNK 0 -2.647 0.855 0.481 0.00 0.00 H+0 HETATM 108 H UNK 0 -4.273 -0.493 -0.951 0.00 0.00 H+0 HETATM 109 H UNK 0 -6.215 0.072 -0.402 0.00 0.00 H+0 HETATM 110 H UNK 0 -3.228 -0.951 1.958 0.00 0.00 H+0 HETATM 111 H UNK 0 -2.402 -2.959 0.755 0.00 0.00 H+0 HETATM 112 H UNK 0 -5.214 -3.848 -1.970 0.00 0.00 H+0 HETATM 113 H UNK 0 -4.006 -2.591 -1.948 0.00 0.00 H+0 HETATM 114 H UNK 0 -5.775 -2.268 -1.458 0.00 0.00 H+0 HETATM 115 H UNK 0 -5.855 -2.617 1.676 0.00 0.00 H+0 HETATM 116 H UNK 0 -7.631 -3.573 2.489 0.00 0.00 H+0 HETATM 117 H UNK 0 -7.688 -5.341 2.428 0.00 0.00 H+0 HETATM 118 H UNK 0 -9.652 -4.036 1.658 0.00 0.00 H+0 HETATM 119 H UNK 0 -6.730 -6.442 0.503 0.00 0.00 H+0 HETATM 120 H UNK 0 -7.703 -4.372 -1.404 0.00 0.00 H+0 HETATM 121 H UNK 0 -8.407 -5.951 -0.921 0.00 0.00 H+0 HETATM 122 H UNK 0 -7.016 -5.948 -2.077 0.00 0.00 H+0 HETATM 123 H UNK 0 -5.039 -5.812 -1.678 0.00 0.00 H+0 HETATM 124 H UNK 0 -4.654 -6.741 -0.244 0.00 0.00 H+0 HETATM 125 H UNK 0 -2.659 -6.777 1.747 0.00 0.00 H+0 HETATM 126 H UNK 0 -2.439 -4.572 3.007 0.00 0.00 H+0 HETATM 127 H UNK 0 -1.952 -6.756 -0.423 0.00 0.00 H+0 HETATM 128 H UNK 0 -0.441 -4.175 -0.000 0.00 0.00 H+0 HETATM 129 H UNK 0 0.360 -4.891 -1.799 0.00 0.00 H+0 HETATM 130 H UNK 0 0.098 -7.873 1.885 0.00 0.00 H+0 HETATM 131 H UNK 0 1.642 -7.560 0.933 0.00 0.00 H+0 HETATM 132 H UNK 0 0.098 -7.816 0.107 0.00 0.00 H+0 HETATM 133 H UNK 0 0.895 -5.677 3.005 0.00 0.00 H+0 HETATM 134 H UNK 0 0.862 -2.991 2.503 0.00 0.00 H+0 HETATM 135 H UNK 0 1.948 -2.661 0.286 0.00 0.00 H+0 HETATM 136 H UNK 0 3.802 -4.715 1.702 0.00 0.00 H+0 HETATM 137 H UNK 0 2.577 -5.648 -0.773 0.00 0.00 H+0 HETATM 138 H UNK 0 3.751 -7.259 -1.844 0.00 0.00 H+0 HETATM 139 H UNK 0 5.452 -6.780 -2.204 0.00 0.00 H+0 HETATM 140 H UNK 0 5.618 -8.792 -1.384 0.00 0.00 H+0 HETATM 141 H UNK 0 5.707 -6.047 1.345 0.00 0.00 H+0 HETATM 142 H UNK 0 7.152 -7.000 -0.156 0.00 0.00 H+0 HETATM 143 H UNK 0 7.917 -5.417 0.167 0.00 0.00 H+0 HETATM 144 H UNK 0 7.038 -5.609 -1.359 0.00 0.00 H+0 HETATM 145 H UNK 0 6.684 -3.573 0.124 0.00 0.00 H+0 HETATM 146 H UNK 0 6.013 -3.861 1.748 0.00 0.00 H+0 HETATM 147 H UNK 0 6.063 -1.971 -1.362 0.00 0.00 H+0 HETATM 148 H UNK 0 4.330 -0.869 -2.913 0.00 0.00 H+0 HETATM 149 H UNK 0 3.219 -1.057 -0.900 0.00 0.00 H+0 HETATM 150 H UNK 0 5.487 0.171 0.535 0.00 0.00 H+0 HETATM 151 H UNK 0 6.694 0.178 -1.227 0.00 0.00 H+0 HETATM 152 H UNK 0 3.011 0.882 0.468 0.00 0.00 H+0 HETATM 153 H UNK 0 2.824 2.523 -1.519 0.00 0.00 H+0 HETATM 154 H UNK 0 5.567 4.077 -2.804 0.00 0.00 H+0 HETATM 155 H UNK 0 6.593 2.797 -2.179 0.00 0.00 H+0 HETATM 156 H UNK 0 4.944 2.442 -2.972 0.00 0.00 H+0 HETATM 157 H UNK 0 6.503 2.256 0.210 0.00 0.00 H+0 HETATM 158 H UNK 0 7.378 2.811 2.180 0.00 0.00 H+0 HETATM 159 H UNK 0 6.364 3.873 3.176 0.00 0.00 H+0 HETATM 160 H UNK 0 8.474 4.744 1.487 0.00 0.00 H+0 HETATM 161 H UNK 0 4.203 5.169 1.849 0.00 0.00 H+0 HETATM 162 H UNK 0 5.226 7.315 1.777 0.00 0.00 H+0 HETATM 163 H UNK 0 6.101 6.283 2.933 0.00 0.00 H+0 HETATM 164 H UNK 0 6.791 6.669 1.261 0.00 0.00 H+0 HETATM 165 H UNK 0 4.194 6.526 -0.161 0.00 0.00 H+0 HETATM 166 H UNK 0 5.809 5.907 -0.659 0.00 0.00 H+0 HETATM 167 H UNK 0 2.732 6.495 -2.810 0.00 0.00 H+0 HETATM 168 H UNK 0 2.495 4.011 -3.749 0.00 0.00 H+0 HETATM 169 H UNK 0 2.219 6.568 -0.615 0.00 0.00 H+0 HETATM 170 H UNK 0 0.102 6.232 -1.607 0.00 0.00 H+0 HETATM 171 H UNK 0 0.669 3.408 -1.488 0.00 0.00 H+0 CONECT 1 2 86 87 88 CONECT 2 1 3 84 CONECT 3 2 4 89 CONECT 4 3 5 90 CONECT 5 4 6 91 CONECT 6 5 7 8 15 CONECT 7 6 92 93 94 CONECT 8 6 9 95 CONECT 9 8 10 12 CONECT 10 9 11 96 97 CONECT 11 10 98 CONECT 12 9 13 14 99 CONECT 13 12 100 101 102 CONECT 14 12 15 103 104 CONECT 15 14 16 6 20 CONECT 16 15 17 CONECT 17 16 18 19 105 CONECT 18 17 106 CONECT 19 17 20 22 107 CONECT 20 19 21 15 CONECT 21 20 CONECT 22 19 23 24 108 CONECT 23 22 109 CONECT 24 22 25 110 CONECT 25 24 26 111 CONECT 26 25 27 28 35 CONECT 27 26 112 113 114 CONECT 28 26 29 115 CONECT 29 28 30 32 CONECT 30 29 31 116 117 CONECT 31 30 118 CONECT 32 29 33 34 119 CONECT 33 32 120 121 122 CONECT 34 32 35 123 124 CONECT 35 34 36 26 40 CONECT 36 35 37 CONECT 37 36 38 39 125 CONECT 38 37 126 CONECT 39 37 40 42 127 CONECT 40 39 41 35 CONECT 41 40 CONECT 42 39 43 44 128 CONECT 43 42 129 CONECT 44 42 45 46 CONECT 45 44 130 131 132 CONECT 46 44 47 133 CONECT 47 46 48 134 CONECT 48 47 49 135 CONECT 49 48 50 57 136 CONECT 50 49 51 137 CONECT 51 50 52 54 CONECT 52 51 53 138 139 CONECT 53 52 140 CONECT 54 51 55 56 141 CONECT 55 54 142 143 144 CONECT 56 54 57 145 146 CONECT 57 56 58 49 62 CONECT 58 57 59 CONECT 59 58 60 61 147 CONECT 60 59 148 CONECT 61 59 62 64 149 CONECT 62 61 63 57 CONECT 63 62 CONECT 64 61 65 66 150 CONECT 65 64 151 CONECT 66 64 67 152 CONECT 67 66 68 153 CONECT 68 67 69 70 77 CONECT 69 68 154 155 156 CONECT 70 68 71 157 CONECT 71 70 72 74 CONECT 72 71 73 158 159 CONECT 73 72 160 CONECT 74 71 75 76 161 CONECT 75 74 162 163 164 CONECT 76 74 77 165 166 CONECT 77 76 78 68 82 CONECT 78 77 79 CONECT 79 78 80 81 167 CONECT 80 79 168 CONECT 81 79 82 84 169 CONECT 82 81 83 77 CONECT 83 82 CONECT 84 81 85 2 170 CONECT 85 84 171 CONECT 86 1 CONECT 87 1 CONECT 88 1 CONECT 89 3 CONECT 90 4 CONECT 91 5 CONECT 92 7 CONECT 93 7 CONECT 94 7 CONECT 95 8 CONECT 96 10 CONECT 97 10 CONECT 98 11 CONECT 99 12 CONECT 100 13 CONECT 101 13 CONECT 102 13 CONECT 103 14 CONECT 104 14 CONECT 105 17 CONECT 106 18 CONECT 107 19 CONECT 108 22 CONECT 109 23 CONECT 110 24 CONECT 111 25 CONECT 112 27 CONECT 113 27 CONECT 114 27 CONECT 115 28 CONECT 116 30 CONECT 117 30 CONECT 118 31 CONECT 119 32 CONECT 120 33 CONECT 121 33 CONECT 122 33 CONECT 123 34 CONECT 124 34 CONECT 125 37 CONECT 126 38 CONECT 127 39 CONECT 128 42 CONECT 129 43 CONECT 130 45 CONECT 131 45 CONECT 132 45 CONECT 133 46 CONECT 134 47 CONECT 135 48 CONECT 136 49 CONECT 137 50 CONECT 138 52 CONECT 139 52 CONECT 140 53 CONECT 141 54 CONECT 142 55 CONECT 143 55 CONECT 144 55 CONECT 145 56 CONECT 146 56 CONECT 147 59 CONECT 148 60 CONECT 149 61 CONECT 150 64 CONECT 151 65 CONECT 152 66 CONECT 153 67 CONECT 154 69 CONECT 155 69 CONECT 156 69 CONECT 157 70 CONECT 158 72 CONECT 159 72 CONECT 160 73 CONECT 161 74 CONECT 162 75 CONECT 163 75 CONECT 164 75 CONECT 165 76 CONECT 166 76 CONECT 167 79 CONECT 168 80 CONECT 169 81 CONECT 170 84 CONECT 171 85 MASTER 0 0 0 0 0 0 0 0 171 0 358 0 END SMILES for NP0004753 (Quartromicin D3)[H]OC([H])([H])C1=C([H])[C@]2([H])\C([H])=C(\[H])/C(/[H])=C(C([H])([H])[H])\[C@@]([H])(O[H])[C@]3([H])C(=O)[C@]4(O[C@]3([H])O[H])C([H])([H])[C@@]([H])(C(=C([H])[C@]4(\C([H])=C([H])/[C@@]([H])(O[H])[C@@]3([H])C(=O)[C@]4(O[C@@]3([H])O[H])C([H])([H])[C@]([H])(C(=C([H])[C@@]4(\C([H])=C(\[H])/C(/[H])=C(C([H])([H])[H])\[C@]([H])(O[H])[C@@]3([H])C(=O)[C@@]4(O[C@@]3([H])O[H])C([H])([H])[C@@]([H])(C(=C([H])[C@]4(\C([H])=C([H])/[C@]([H])(O[H])[C@]3([H])C(=O)[C@@]2(O[C@@]3([H])O[H])C([H])([H])[C@]1([H])C([H])([H])[H])C([H])([H])[H])C([H])([H])O[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])O[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])O[H])C([H])([H])[H] INCHI for NP0004753 (Quartromicin D3)InChI=1S/C65H86O20/c1-32-12-10-14-42-20-38(28-66)34(3)21-62(42)51(74)45(55(78)82-62)43(70)15-18-60(8)26-40(30-68)37(6)24-65(60)54(77)48(58(81)85-65)50(73)33(2)13-11-17-59(7)25-39(29-67)35(4)22-63(59)52(75)46(56(79)83-63)44(71)16-19-61(9)27-41(31-69)36(5)23-64(61)53(76)47(49(32)72)57(80)84-64/h10-20,25-27,34-37,42-50,55-58,66-73,78-81H,21-24,28-31H2,1-9H3/b14-10-,17-11-,18-15-,19-16-,32-12-,33-13-/t34-,35+,36-,37-,42-,43-,44+,45+,46-,47+,48-,49+,50-,55+,56+,57-,58+,59-,60+,61+,62+,63+,64+,65-/m0/s1 3D Structure for NP0004753 (Quartromicin D3) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Formula | C65H86O20 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 1187.3830 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 1186.57125 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | (1S,3S,6R,7Z,9R,10R,11R,13S,15R,18S,19Z,21Z,23R,24R,25R,27R,29S,32R,33Z,35S,36S,37R,39R,41S,44S,45Z,47Z,49S,50S,51S)-9,11,23,25,35,37,49,51-octahydroxy-4,16,30,42-tetrakis(hydroxymethyl)-3,6,15,18,22,29,32,41,48-nonamethyl-12,26,38,52-tetraoxanonacyclo[48.2.1.1^{10,13}.1^{24,27}.1^{36,39}.0^{1,6}.0^{13,18}.0^{27,32}.0^{39,44}]hexapentaconta-4,7,16,19,21,30,33,42,45,47-decaene-53,54,55,56-tetrone | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | (1S,3S,6R,7Z,9R,10R,11R,13S,15R,18S,19Z,21Z,23R,24R,25R,27R,29S,32R,33Z,35S,36S,37R,39R,41S,44S,45Z,47Z,49S,50S,51S)-9,11,23,25,35,37,49,51-octahydroxy-4,16,30,42-tetrakis(hydroxymethyl)-3,6,15,18,22,29,32,41,48-nonamethyl-12,26,38,52-tetraoxanonacyclo[48.2.1.1^{10,13}.1^{24,27}.1^{36,39}.0^{1,6}.0^{13,18}.0^{27,32}.0^{39,44}]hexapentaconta-4,7,16,19,21,30,33,42,45,47-decaene-53,54,55,56-tetrone | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | CC1CC23OC(O)C(C(O)\C=C/C4(C)C=C(CO)C(C)CC44OC(O)C(C(O)\C(C)=C/C=C\C5(C)C=C(CO)C(C)CC55OC(O)C(C(O)\C=C/C6(C)C=C(CO)C(C)CC66OC(O)C(C(O)\C(C)=C/C=C\C2C=C1CO)C6=O)C5=O)C4=O)C3=O | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C65H86O20/c1-32-12-10-14-42-20-38(28-66)34(3)21-62(42)51(74)45(55(78)82-62)43(70)15-18-60(8)26-40(30-68)37(6)24-65(60)54(77)48(58(81)85-65)50(73)33(2)13-11-17-59(7)25-39(29-67)35(4)22-63(59)52(75)46(56(79)83-63)44(71)16-19-61(9)27-41(31-69)36(5)23-64(61)53(76)47(49(32)72)57(80)84-64/h10-20,25-27,34-37,42-50,55-58,66-73,78-81H,21-24,28-31H2,1-9H3/b14-10-,17-11-,18-15-,19-16-,32-12-,33-13- | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | MVLBVZMWXZPUSM-RMGFBMTASA-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 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| External Links | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
