Showing NP-Card for Landomycin A (NP0011695)
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| Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2021-01-05 21:18:28 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-07-15 17:09:39 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0011695 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Landomycin A | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Landomycin A is found in Apis cerana, Streptomyces cyanogenus, Streptomyces fradiae, Streptomyces globisporus and Streptomyces sp.. Landomycin A was first documented in 1990 (PMID: 2358402). Based on a literature review very few articles have been published on (6R)-1,6,11-trihydroxy-8-{[(2S,4R,5S,6R)-4-hydroxy-5-{[(2S,4R,5R,6R)-5-hydroxy-4-{[(2S,5S,6S)-5-{[(2S,4R,5S,6R)-4-hydroxy-5-{[(2S,4R,5R,6R)-5-hydroxy-4-{[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-3-methyl-5,6,7,12-tetrahydrotetraphene-7,12-dione (PMID: 34132308) (PMID: 34094801) (PMID: 31800236) (PMID: 31021647). | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for NP0011695 (Landomycin A)
Mrv1652307012121553D
151160 0 0 0 0 999 V2000
-19.0100 0.6604 -0.1653 C 0 0 0 0 0 0 0 0 0 0 0 0
-17.5619 0.3289 -0.4191 C 0 0 0 0 0 0 0 0 0 0 0 0
-17.0427 0.4606 -1.6635 C 0 0 0 0 0 0 0 0 0 0 0 0
-15.6770 0.1303 -1.9527 C 0 0 0 0 0 0 0 0 0 0 0 0
-15.3833 0.3195 -3.2264 O 0 0 0 0 0 0 0 0 0 0 0 0
-14.9240 -0.3182 -0.9143 C 0 0 0 0 0 0 0 0 0 0 0 0
-15.4693 -0.4521 0.3788 C 0 0 0 0 0 0 0 0 0 0 0 0
-16.8025 -0.1186 0.5959 C 0 0 0 0 0 0 0 0 0 0 0 0
-14.5971 -0.9096 1.4759 C 0 0 1 0 0 0 0 0 0 0 0 0
-13.4900 -1.8346 1.0464 C 0 0 1 0 0 0 0 0 0 0 0 0
-13.9053 -3.1294 0.7524 O 0 0 0 0 0 0 0 0 0 0 0 0
-12.8143 -1.2523 -0.1596 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.5313 -0.7291 -1.1752 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.8372 -0.2914 -2.3629 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.3522 0.1920 -3.3334 O 0 0 0 0 0 0 0 0 0 0 0 0
-11.3903 -0.4078 -2.4362 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.7130 0.0246 -3.5528 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.4131 0.5350 -4.6148 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.3348 -0.0557 -3.6248 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.6432 -0.5742 -2.5717 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.2939 -1.0005 -1.4741 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.6538 -1.5119 -0.3769 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.2398 -1.4847 -0.3257 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.8769 -0.0599 0.2021 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.6522 -0.1795 1.6887 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.7158 -0.9365 2.2410 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3855 -1.0014 1.9266 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.2549 -0.2088 1.7680 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5397 -0.0070 2.9380 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.1018 -0.4360 2.9062 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.1944 0.7406 2.8007 C 0 0 1 0 0 0 0 0 0 0 0 0
0.1156 0.4548 2.4455 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9898 1.1558 3.3276 C 0 0 1 0 0 0 0 0 0 0 0 0
2.0798 0.2456 3.7747 C 0 0 2 0 0 0 0 0 0 0 0 0
3.4371 0.8782 3.4135 C 0 0 2 0 0 0 0 0 0 0 0 0
3.5366 0.9508 1.9002 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5846 1.6820 1.4212 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4556 0.9040 0.6605 C 0 0 1 0 0 0 0 0 0 0 0 0
5.3228 1.1695 -0.8325 C 0 0 1 0 0 0 0 0 0 0 0 0
6.4839 0.4407 -1.4992 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3006 0.4739 -2.8595 O 0 0 0 0 0 0 0 0 0 0 0 0
7.7678 1.1352 -1.0971 C 0 0 2 0 0 0 0 0 0 0 0 0
8.8695 0.3732 -1.0287 O 0 0 0 0 0 0 0 0 0 0 0 0
9.9115 0.6400 -1.8982 C 0 0 1 0 0 0 0 0 0 0 0 0
11.2093 0.9035 -1.1931 C 0 0 2 0 0 0 0 0 0 0 0 0
12.0360 -0.3676 -1.1516 C 0 0 1 0 0 0 0 0 0 0 0 0
13.1210 -0.2423 -0.2975 O 0 0 0 0 0 0 0 0 0 0 0 0
14.2856 -0.4724 -1.0409 C 0 0 1 0 0 0 0 0 0 0 0 0
15.1530 0.7739 -1.1272 C 0 0 2 0 0 0 0 0 0 0 0 0
16.4413 0.3556 -1.8240 C 0 0 2 0 0 0 0 0 0 0 0 0
17.1636 -0.6696 -1.0148 C 0 0 2 0 0 0 0 0 0 0 0 0
17.7501 -1.6423 -1.8258 O 0 0 0 0 0 0 0 0 0 0 0 0
16.1967 -1.2272 0.0050 C 0 0 2 0 0 0 0 0 0 0 0 0
16.7473 -2.5005 0.6225 C 0 0 0 0 0 0 0 0 0 0 0 0
14.9738 -1.5403 -0.5374 O 0 0 0 0 0 0 0 0 0 0 0 0
11.0579 -1.4436 -0.7063 C 0 0 2 0 0 0 0 0 0 0 0 0
11.6432 -2.5830 -0.2484 O 0 0 0 0 0 0 0 0 0 0 0 0
10.1963 -1.6626 -1.9597 C 0 0 1 0 0 0 0 0 0 0 0 0
8.8845 -2.2192 -1.5442 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0755 -0.4892 -2.7042 O 0 0 0 0 0 0 0 0 0 0 0 0
7.5577 1.8356 0.2483 C 0 0 1 0 0 0 0 0 0 0 0 0
7.1592 3.2702 0.0836 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7275 1.1029 1.0526 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2127 1.5754 1.4507 C 0 0 2 0 0 0 0 0 0 0 0 0
2.4385 2.5141 0.3210 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5677 2.1621 2.4896 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7939 1.6784 1.7282 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.9351 2.7168 1.4128 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1512 2.1652 2.2181 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.0991 2.3671 1.0702 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6124 1.3368 3.2376 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3955 -2.0424 0.8402 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.6404 -3.2892 1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7358 -2.4222 0.5449 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.6756 -0.9234 -1.3945 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.3788 -1.3666 -0.2114 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.7065 -1.8258 0.7398 O 0 0 0 0 0 0 0 0 0 0 0 0
-19.2437 1.5872 -0.6788 H 0 0 0 0 0 0 0 0 0 0 0 0
-19.2245 0.6036 0.9147 H 0 0 0 0 0 0 0 0 0 0 0 0
-19.5904 -0.1986 -0.6376 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.6788 0.8191 -2.4352 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.1363 0.4412 -4.0749 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.1412 -0.2529 1.6147 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.1606 -0.0404 2.0309 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.2469 -1.4549 2.1780 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.7379 -1.8824 1.8619 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.4738 -3.5447 1.4267 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.9374 0.8479 -5.4407 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8154 0.2928 -4.5009 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5575 -0.6390 -2.6654 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7452 -1.5532 -1.3077 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9897 0.2728 -0.3097 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7846 0.5823 0.0991 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6636 0.7953 2.1647 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4289 -1.1684 3.1606 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5096 -1.4336 2.8952 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0568 -0.5621 3.7632 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9110 -1.1689 2.0562 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8196 -1.0133 3.8199 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2110 1.3266 3.7287 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4526 1.6725 4.1373 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0644 -0.7410 3.2629 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0285 0.0706 4.8709 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2207 0.2256 3.8126 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4554 1.8482 3.9153 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6133 -0.0673 1.5070 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0585 -0.1540 0.7653 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3549 0.6671 -1.1995 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2145 2.2019 -1.1169 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4304 -0.5911 -1.1451 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0351 0.9720 -3.3310 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9088 1.9601 -1.8491 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6452 1.4705 -2.5446 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0977 1.1716 -0.1222 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8499 1.6751 -1.6610 H 0 0 0 0 0 0 0 0 0 0 0 0
12.3765 -0.6093 -2.1582 H 0 0 0 0 0 0 0 0 0 0 0 0
14.0534 -0.6994 -2.1260 H 0 0 0 0 0 0 0 0 0 0 0 0
15.3619 1.2113 -0.1677 H 0 0 0 0 0 0 0 0 0 0 0 0
14.6444 1.5032 -1.8295 H 0 0 0 0 0 0 0 0 0 0 0 0
17.0465 1.1807 -2.1813 H 0 0 0 0 0 0 0 0 0 0 0 0
16.0456 -0.2036 -2.7325 H 0 0 0 0 0 0 0 0 0 0 0 0
17.9830 -0.1671 -0.4575 H 0 0 0 0 0 0 0 0 0 0 0 0
17.1323 -2.3462 -2.1022 H 0 0 0 0 0 0 0 0 0 0 0 0
16.0725 -0.4738 0.7805 H 0 0 0 0 0 0 0 0 0 0 0 0
17.6922 -2.8360 0.1475 H 0 0 0 0 0 0 0 0 0 0 0 0
16.0186 -3.3175 0.6588 H 0 0 0 0 0 0 0 0 0 0 0 0
17.0048 -2.2490 1.6864 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4847 -0.9853 0.1168 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5623 -2.7099 0.7412 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7813 -2.3849 -2.5992 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0517 -1.9432 -2.1949 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9948 -3.3495 -1.6386 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6929 -2.0913 -0.4699 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5561 1.8399 0.7559 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2463 3.4246 0.6858 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9188 3.9393 0.5788 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1041 3.6448 -0.9401 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5977 0.7232 1.0491 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5606 3.2314 0.2751 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3810 2.0114 -0.6949 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3387 3.1473 0.4295 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9491 1.0390 0.8532 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3551 3.5589 1.7726 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9790 3.1602 2.6540 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9772 3.4010 0.6710 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1429 2.3240 1.4209 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9661 1.5890 0.2863 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9638 -1.6550 -0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5293 -3.0747 1.1420 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8019 -3.5619 2.2516 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9320 -4.1339 0.5806 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 1 0 0 0 0
4 6 2 0 0 0 0
6 7 1 0 0 0 0
7 8 2 0 0 0 0
7 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
10 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
14 16 1 0 0 0 0
16 17 2 0 0 0 0
17 18 1 0 0 0 0
17 19 1 0 0 0 0
19 20 2 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
25 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
38 39 1 0 0 0 0
39 40 1 0 0 0 0
40 41 1 0 0 0 0
40 42 1 0 0 0 0
42 43 1 0 0 0 0
43 44 1 0 0 0 0
44 45 1 0 0 0 0
45 46 1 0 0 0 0
46 47 1 0 0 0 0
47 48 1 0 0 0 0
48 49 1 0 0 0 0
49 50 1 0 0 0 0
50 51 1 0 0 0 0
51 52 1 0 0 0 0
51 53 1 0 0 0 0
53 54 1 0 0 0 0
53 55 1 0 0 0 0
46 56 1 0 0 0 0
56 57 1 0 0 0 0
56 58 1 0 0 0 0
58 59 1 0 0 0 0
58 60 1 0 0 0 0
42 61 1 0 0 0 0
61 62 1 0 0 0 0
61 63 1 0 0 0 0
36 64 1 0 0 0 0
64 65 1 0 0 0 0
64 66 1 0 0 0 0
31 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
27 72 1 0 0 0 0
72 73 1 0 0 0 0
72 74 1 0 0 0 0
21 75 2 0 0 0 0
75 76 1 0 0 0 0
76 77 2 0 0 0 0
8 2 1 0 0 0 0
76 12 1 0 0 0 0
13 6 1 0 0 0 0
75 16 1 0 0 0 0
74 23 1 0 0 0 0
71 29 1 0 0 0 0
66 33 1 0 0 0 0
63 38 1 0 0 0 0
60 44 1 0 0 0 0
55 48 1 0 0 0 0
1 78 1 0 0 0 0
1 79 1 0 0 0 0
1 80 1 0 0 0 0
3 81 1 0 0 0 0
5 82 1 0 0 0 0
8 83 1 0 0 0 0
9 84 1 0 0 0 0
9 85 1 0 0 0 0
10 86 1 1 0 0 0
11 87 1 0 0 0 0
18 88 1 0 0 0 0
19 89 1 0 0 0 0
20 90 1 0 0 0 0
23 91 1 6 0 0 0
24 92 1 0 0 0 0
24 93 1 0 0 0 0
25 94 1 1 0 0 0
26 95 1 0 0 0 0
27 96 1 1 0 0 0
29 97 1 1 0 0 0
30 98 1 0 0 0 0
30 99 1 0 0 0 0
31100 1 1 0 0 0
33101 1 1 0 0 0
34102 1 0 0 0 0
34103 1 0 0 0 0
35104 1 0 0 0 0
35105 1 0 0 0 0
36106 1 6 0 0 0
38107 1 6 0 0 0
39108 1 0 0 0 0
39109 1 0 0 0 0
40110 1 1 0 0 0
41111 1 0 0 0 0
42112 1 6 0 0 0
44113 1 6 0 0 0
45114 1 0 0 0 0
45115 1 0 0 0 0
46116 1 6 0 0 0
48117 1 6 0 0 0
49118 1 0 0 0 0
49119 1 0 0 0 0
50120 1 0 0 0 0
50121 1 0 0 0 0
51122 1 1 0 0 0
52123 1 0 0 0 0
53124 1 1 0 0 0
54125 1 0 0 0 0
54126 1 0 0 0 0
54127 1 0 0 0 0
56128 1 1 0 0 0
57129 1 0 0 0 0
58130 1 6 0 0 0
59131 1 0 0 0 0
59132 1 0 0 0 0
59133 1 0 0 0 0
61134 1 1 0 0 0
62135 1 0 0 0 0
62136 1 0 0 0 0
62137 1 0 0 0 0
64138 1 6 0 0 0
65139 1 0 0 0 0
65140 1 0 0 0 0
65141 1 0 0 0 0
67142 1 6 0 0 0
68143 1 0 0 0 0
69144 1 1 0 0 0
70145 1 0 0 0 0
70146 1 0 0 0 0
70147 1 0 0 0 0
72148 1 6 0 0 0
73149 1 0 0 0 0
73150 1 0 0 0 0
73151 1 0 0 0 0
M END
3D MOL for NP0011695 (Landomycin A)
RDKit 3D
151160 0 0 0 0 0 0 0 0999 V2000
-19.0100 0.6604 -0.1653 C 0 0 0 0 0 0 0 0 0 0 0 0
-17.5619 0.3289 -0.4191 C 0 0 0 0 0 0 0 0 0 0 0 0
-17.0427 0.4606 -1.6635 C 0 0 0 0 0 0 0 0 0 0 0 0
-15.6770 0.1303 -1.9527 C 0 0 0 0 0 0 0 0 0 0 0 0
-15.3833 0.3195 -3.2264 O 0 0 0 0 0 0 0 0 0 0 0 0
-14.9240 -0.3182 -0.9143 C 0 0 0 0 0 0 0 0 0 0 0 0
-15.4693 -0.4521 0.3788 C 0 0 0 0 0 0 0 0 0 0 0 0
-16.8025 -0.1186 0.5959 C 0 0 0 0 0 0 0 0 0 0 0 0
-14.5971 -0.9096 1.4759 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.4900 -1.8346 1.0464 C 0 0 1 0 0 0 0 0 0 0 0 0
-13.9053 -3.1294 0.7524 O 0 0 0 0 0 0 0 0 0 0 0 0
-12.8143 -1.2523 -0.1596 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.5313 -0.7291 -1.1752 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.8372 -0.2914 -2.3629 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.3522 0.1920 -3.3334 O 0 0 0 0 0 0 0 0 0 0 0 0
-11.3903 -0.4078 -2.4362 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.7130 0.0246 -3.5528 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.4131 0.5350 -4.6148 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.3348 -0.0557 -3.6248 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.6432 -0.5742 -2.5717 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.2939 -1.0005 -1.4741 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.6538 -1.5119 -0.3769 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.2398 -1.4847 -0.3257 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.8769 -0.0599 0.2021 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6522 -0.1795 1.6887 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.7158 -0.9365 2.2410 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3855 -1.0014 1.9266 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.2549 -0.2088 1.7680 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5397 -0.0070 2.9380 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.1018 -0.4360 2.9062 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1944 0.7406 2.8007 C 0 0 1 0 0 0 0 0 0 0 0 0
0.1156 0.4548 2.4455 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9898 1.1558 3.3276 C 0 0 1 0 0 0 0 0 0 0 0 0
2.0798 0.2456 3.7747 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4371 0.8782 3.4135 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5366 0.9508 1.9002 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5846 1.6820 1.4212 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4556 0.9040 0.6605 C 0 0 1 0 0 0 0 0 0 0 0 0
5.3228 1.1695 -0.8325 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4839 0.4407 -1.4992 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3006 0.4739 -2.8595 O 0 0 0 0 0 0 0 0 0 0 0 0
7.7678 1.1352 -1.0971 C 0 0 2 0 0 0 0 0 0 0 0 0
8.8695 0.3732 -1.0287 O 0 0 0 0 0 0 0 0 0 0 0 0
9.9115 0.6400 -1.8982 C 0 0 1 0 0 0 0 0 0 0 0 0
11.2093 0.9035 -1.1931 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0360 -0.3676 -1.1516 C 0 0 1 0 0 0 0 0 0 0 0 0
13.1210 -0.2423 -0.2975 O 0 0 0 0 0 0 0 0 0 0 0 0
14.2856 -0.4724 -1.0409 C 0 0 1 0 0 0 0 0 0 0 0 0
15.1530 0.7739 -1.1272 C 0 0 0 0 0 0 0 0 0 0 0 0
16.4413 0.3556 -1.8240 C 0 0 0 0 0 0 0 0 0 0 0 0
17.1636 -0.6696 -1.0148 C 0 0 2 0 0 0 0 0 0 0 0 0
17.7501 -1.6423 -1.8258 O 0 0 0 0 0 0 0 0 0 0 0 0
16.1967 -1.2272 0.0050 C 0 0 2 0 0 0 0 0 0 0 0 0
16.7473 -2.5005 0.6225 C 0 0 0 0 0 0 0 0 0 0 0 0
14.9738 -1.5403 -0.5374 O 0 0 0 0 0 0 0 0 0 0 0 0
11.0579 -1.4436 -0.7063 C 0 0 2 0 0 0 0 0 0 0 0 0
11.6432 -2.5830 -0.2484 O 0 0 0 0 0 0 0 0 0 0 0 0
10.1963 -1.6626 -1.9597 C 0 0 1 0 0 0 0 0 0 0 0 0
8.8845 -2.2192 -1.5442 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0755 -0.4892 -2.7042 O 0 0 0 0 0 0 0 0 0 0 0 0
7.5577 1.8356 0.2483 C 0 0 1 0 0 0 0 0 0 0 0 0
7.1592 3.2702 0.0836 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7275 1.1029 1.0526 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2127 1.5754 1.4507 C 0 0 2 0 0 0 0 0 0 0 0 0
2.4385 2.5141 0.3210 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5677 2.1621 2.4896 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7939 1.6784 1.7282 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.9351 2.7168 1.4128 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1512 2.1652 2.2181 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.0991 2.3671 1.0702 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6124 1.3368 3.2376 O 0 0 0 0 0 0 0 0 0 0 0 0
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-10.7065 -1.8258 0.7398 O 0 0 0 0 0 0 0 0 0 0 0 0
-19.2437 1.5872 -0.6788 H 0 0 0 0 0 0 0 0 0 0 0 0
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-19.5904 -0.1986 -0.6376 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.6788 0.8191 -2.4352 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.1363 0.4412 -4.0749 H 0 0 0 0 0 0 0 0 0 0 0 0
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-12.7379 -1.8824 1.8619 H 0 0 0 0 0 0 0 0 0 0 0 0
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-10.9374 0.8479 -5.4407 H 0 0 0 0 0 0 0 0 0 0 0 0
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-5.9897 0.2728 -0.3097 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7846 0.5823 0.0991 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6636 0.7953 2.1647 H 0 0 0 0 0 0 0 0 0 0 0 0
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-1.9110 -1.1689 2.0562 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8196 -1.0133 3.8199 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2110 1.3266 3.7287 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4526 1.6725 4.1373 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0644 -0.7410 3.2629 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0285 0.0706 4.8709 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2207 0.2256 3.8126 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4554 1.8482 3.9153 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6133 -0.0673 1.5070 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0585 -0.1540 0.7653 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3549 0.6671 -1.1995 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2145 2.2019 -1.1169 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4304 -0.5911 -1.1451 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0351 0.9720 -3.3310 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9088 1.9601 -1.8491 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6452 1.4705 -2.5446 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0977 1.1716 -0.1222 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8499 1.6751 -1.6610 H 0 0 0 0 0 0 0 0 0 0 0 0
12.3765 -0.6093 -2.1582 H 0 0 0 0 0 0 0 0 0 0 0 0
14.0534 -0.6994 -2.1260 H 0 0 0 0 0 0 0 0 0 0 0 0
15.3619 1.2113 -0.1677 H 0 0 0 0 0 0 0 0 0 0 0 0
14.6444 1.5032 -1.8295 H 0 0 0 0 0 0 0 0 0 0 0 0
17.0465 1.1807 -2.1813 H 0 0 0 0 0 0 0 0 0 0 0 0
16.0456 -0.2036 -2.7325 H 0 0 0 0 0 0 0 0 0 0 0 0
17.9830 -0.1671 -0.4575 H 0 0 0 0 0 0 0 0 0 0 0 0
17.1323 -2.3462 -2.1022 H 0 0 0 0 0 0 0 0 0 0 0 0
16.0725 -0.4738 0.7805 H 0 0 0 0 0 0 0 0 0 0 0 0
17.6922 -2.8360 0.1475 H 0 0 0 0 0 0 0 0 0 0 0 0
16.0186 -3.3175 0.6588 H 0 0 0 0 0 0 0 0 0 0 0 0
17.0048 -2.2490 1.6864 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4847 -0.9853 0.1168 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5623 -2.7099 0.7412 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7813 -2.3849 -2.5992 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0517 -1.9432 -2.1949 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9948 -3.3495 -1.6386 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6929 -2.0913 -0.4699 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5561 1.8399 0.7559 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2463 3.4246 0.6858 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9188 3.9393 0.5788 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1041 3.6448 -0.9401 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5977 0.7232 1.0491 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5606 3.2314 0.2751 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3810 2.0114 -0.6949 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3387 3.1473 0.4295 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9491 1.0390 0.8532 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3551 3.5589 1.7726 H 0 0 0 0 0 0 0 0 0 0 0 0
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-3.9772 3.4010 0.6710 H 0 0 0 0 0 0 0 0 0 0 0 0
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-4.9320 -4.1339 0.5806 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 1 0
4 6 2 0
6 7 1 0
7 8 2 0
7 9 1 0
9 10 1 0
10 11 1 0
10 12 1 0
12 13 2 0
13 14 1 0
14 15 2 0
14 16 1 0
16 17 2 0
17 18 1 0
17 19 1 0
19 20 2 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
25 27 1 0
27 28 1 0
28 29 1 0
29 30 1 0
30 31 1 0
31 32 1 0
32 33 1 0
33 34 1 0
34 35 1 0
35 36 1 0
36 37 1 0
37 38 1 0
38 39 1 0
39 40 1 0
40 41 1 0
40 42 1 0
42 43 1 0
43 44 1 0
44 45 1 0
45 46 1 0
46 47 1 0
47 48 1 0
48 49 1 0
49 50 1 0
50 51 1 0
51 52 1 0
51 53 1 0
53 54 1 0
53 55 1 0
46 56 1 0
56 57 1 0
56 58 1 0
58 59 1 0
58 60 1 0
42 61 1 0
61 62 1 0
61 63 1 0
36 64 1 0
64 65 1 0
64 66 1 0
31 67 1 0
67 68 1 0
67 69 1 0
69 70 1 0
69 71 1 0
27 72 1 0
72 73 1 0
72 74 1 0
21 75 2 0
75 76 1 0
76 77 2 0
8 2 1 0
76 12 1 0
13 6 1 0
75 16 1 0
74 23 1 0
71 29 1 0
66 33 1 0
63 38 1 0
60 44 1 0
55 48 1 0
1 78 1 0
1 79 1 0
1 80 1 0
3 81 1 0
5 82 1 0
8 83 1 0
9 84 1 0
9 85 1 0
10 86 1 1
11 87 1 0
18 88 1 0
19 89 1 0
20 90 1 0
23 91 1 6
24 92 1 0
24 93 1 0
25 94 1 1
26 95 1 0
27 96 1 1
29 97 1 1
30 98 1 0
30 99 1 0
31100 1 1
33101 1 1
34102 1 0
34103 1 0
35104 1 0
35105 1 0
36106 1 6
38107 1 6
39108 1 0
39109 1 0
40110 1 1
41111 1 0
42112 1 6
44113 1 6
45114 1 0
45115 1 0
46116 1 6
48117 1 6
49118 1 0
49119 1 0
50120 1 0
50121 1 0
51122 1 1
52123 1 0
53124 1 1
54125 1 0
54126 1 0
54127 1 0
56128 1 1
57129 1 0
58130 1 6
59131 1 0
59132 1 0
59133 1 0
61134 1 1
62135 1 0
62136 1 0
62137 1 0
64138 1 6
65139 1 0
65140 1 0
65141 1 0
67142 1 6
68143 1 0
69144 1 1
70145 1 0
70146 1 0
70147 1 0
72148 1 6
73149 1 0
73150 1 0
73151 1 0
M END
3D SDF for NP0011695 (Landomycin A)
Mrv1652307012121553D
151160 0 0 0 0 999 V2000
-19.0100 0.6604 -0.1653 C 0 0 0 0 0 0 0 0 0 0 0 0
-17.5619 0.3289 -0.4191 C 0 0 0 0 0 0 0 0 0 0 0 0
-17.0427 0.4606 -1.6635 C 0 0 0 0 0 0 0 0 0 0 0 0
-15.6770 0.1303 -1.9527 C 0 0 0 0 0 0 0 0 0 0 0 0
-15.3833 0.3195 -3.2264 O 0 0 0 0 0 0 0 0 0 0 0 0
-14.9240 -0.3182 -0.9143 C 0 0 0 0 0 0 0 0 0 0 0 0
-15.4693 -0.4521 0.3788 C 0 0 0 0 0 0 0 0 0 0 0 0
-16.8025 -0.1186 0.5959 C 0 0 0 0 0 0 0 0 0 0 0 0
-14.5971 -0.9096 1.4759 C 0 0 1 0 0 0 0 0 0 0 0 0
-13.4900 -1.8346 1.0464 C 0 0 1 0 0 0 0 0 0 0 0 0
-13.9053 -3.1294 0.7524 O 0 0 0 0 0 0 0 0 0 0 0 0
-12.8143 -1.2523 -0.1596 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.5313 -0.7291 -1.1752 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.8372 -0.2914 -2.3629 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.3522 0.1920 -3.3334 O 0 0 0 0 0 0 0 0 0 0 0 0
-11.3903 -0.4078 -2.4362 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.7130 0.0246 -3.5528 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.4131 0.5350 -4.6148 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.3348 -0.0557 -3.6248 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.6432 -0.5742 -2.5717 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.2939 -1.0005 -1.4741 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.6538 -1.5119 -0.3769 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.2398 -1.4847 -0.3257 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.8769 -0.0599 0.2021 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.6522 -0.1795 1.6887 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.7158 -0.9365 2.2410 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3855 -1.0014 1.9266 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.2549 -0.2088 1.7680 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5397 -0.0070 2.9380 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.1018 -0.4360 2.9062 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.1944 0.7406 2.8007 C 0 0 1 0 0 0 0 0 0 0 0 0
0.1156 0.4548 2.4455 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9898 1.1558 3.3276 C 0 0 1 0 0 0 0 0 0 0 0 0
2.0798 0.2456 3.7747 C 0 0 2 0 0 0 0 0 0 0 0 0
3.4371 0.8782 3.4135 C 0 0 2 0 0 0 0 0 0 0 0 0
3.5366 0.9508 1.9002 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5846 1.6820 1.4212 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4556 0.9040 0.6605 C 0 0 1 0 0 0 0 0 0 0 0 0
5.3228 1.1695 -0.8325 C 0 0 1 0 0 0 0 0 0 0 0 0
6.4839 0.4407 -1.4992 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3006 0.4739 -2.8595 O 0 0 0 0 0 0 0 0 0 0 0 0
7.7678 1.1352 -1.0971 C 0 0 2 0 0 0 0 0 0 0 0 0
8.8695 0.3732 -1.0287 O 0 0 0 0 0 0 0 0 0 0 0 0
9.9115 0.6400 -1.8982 C 0 0 1 0 0 0 0 0 0 0 0 0
11.2093 0.9035 -1.1931 C 0 0 2 0 0 0 0 0 0 0 0 0
12.0360 -0.3676 -1.1516 C 0 0 1 0 0 0 0 0 0 0 0 0
13.1210 -0.2423 -0.2975 O 0 0 0 0 0 0 0 0 0 0 0 0
14.2856 -0.4724 -1.0409 C 0 0 1 0 0 0 0 0 0 0 0 0
15.1530 0.7739 -1.1272 C 0 0 2 0 0 0 0 0 0 0 0 0
16.4413 0.3556 -1.8240 C 0 0 2 0 0 0 0 0 0 0 0 0
17.1636 -0.6696 -1.0148 C 0 0 2 0 0 0 0 0 0 0 0 0
17.7501 -1.6423 -1.8258 O 0 0 0 0 0 0 0 0 0 0 0 0
16.1967 -1.2272 0.0050 C 0 0 2 0 0 0 0 0 0 0 0 0
16.7473 -2.5005 0.6225 C 0 0 0 0 0 0 0 0 0 0 0 0
14.9738 -1.5403 -0.5374 O 0 0 0 0 0 0 0 0 0 0 0 0
11.0579 -1.4436 -0.7063 C 0 0 2 0 0 0 0 0 0 0 0 0
11.6432 -2.5830 -0.2484 O 0 0 0 0 0 0 0 0 0 0 0 0
10.1963 -1.6626 -1.9597 C 0 0 1 0 0 0 0 0 0 0 0 0
8.8845 -2.2192 -1.5442 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0755 -0.4892 -2.7042 O 0 0 0 0 0 0 0 0 0 0 0 0
7.5577 1.8356 0.2483 C 0 0 1 0 0 0 0 0 0 0 0 0
7.1592 3.2702 0.0836 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7275 1.1029 1.0526 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2127 1.5754 1.4507 C 0 0 2 0 0 0 0 0 0 0 0 0
2.4385 2.5141 0.3210 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5677 2.1621 2.4896 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7939 1.6784 1.7282 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.9351 2.7168 1.4128 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1512 2.1652 2.2181 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.0991 2.3671 1.0702 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6124 1.3368 3.2376 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3955 -2.0424 0.8402 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.6404 -3.2892 1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7358 -2.4222 0.5449 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.6756 -0.9234 -1.3945 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.3788 -1.3666 -0.2114 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.7065 -1.8258 0.7398 O 0 0 0 0 0 0 0 0 0 0 0 0
-19.2437 1.5872 -0.6788 H 0 0 0 0 0 0 0 0 0 0 0 0
-19.2245 0.6036 0.9147 H 0 0 0 0 0 0 0 0 0 0 0 0
-19.5904 -0.1986 -0.6376 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.6788 0.8191 -2.4352 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.1363 0.4412 -4.0749 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.1412 -0.2529 1.6147 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.1606 -0.0404 2.0309 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.2469 -1.4549 2.1780 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.7379 -1.8824 1.8619 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.4738 -3.5447 1.4267 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.9374 0.8479 -5.4407 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8154 0.2928 -4.5009 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5575 -0.6390 -2.6654 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7452 -1.5532 -1.3077 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9897 0.2728 -0.3097 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7846 0.5823 0.0991 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6636 0.7953 2.1647 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4289 -1.1684 3.1606 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5096 -1.4336 2.8952 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0568 -0.5621 3.7632 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9110 -1.1689 2.0562 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8196 -1.0133 3.8199 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2110 1.3266 3.7287 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4526 1.6725 4.1373 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0644 -0.7410 3.2629 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0285 0.0706 4.8709 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2207 0.2256 3.8126 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4554 1.8482 3.9153 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6133 -0.0673 1.5070 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0585 -0.1540 0.7653 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3549 0.6671 -1.1995 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2145 2.2019 -1.1169 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4304 -0.5911 -1.1451 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0351 0.9720 -3.3310 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9088 1.9601 -1.8491 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6452 1.4705 -2.5446 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0977 1.1716 -0.1222 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8499 1.6751 -1.6610 H 0 0 0 0 0 0 0 0 0 0 0 0
12.3765 -0.6093 -2.1582 H 0 0 0 0 0 0 0 0 0 0 0 0
14.0534 -0.6994 -2.1260 H 0 0 0 0 0 0 0 0 0 0 0 0
15.3619 1.2113 -0.1677 H 0 0 0 0 0 0 0 0 0 0 0 0
14.6444 1.5032 -1.8295 H 0 0 0 0 0 0 0 0 0 0 0 0
17.0465 1.1807 -2.1813 H 0 0 0 0 0 0 0 0 0 0 0 0
16.0456 -0.2036 -2.7325 H 0 0 0 0 0 0 0 0 0 0 0 0
17.9830 -0.1671 -0.4575 H 0 0 0 0 0 0 0 0 0 0 0 0
17.1323 -2.3462 -2.1022 H 0 0 0 0 0 0 0 0 0 0 0 0
16.0725 -0.4738 0.7805 H 0 0 0 0 0 0 0 0 0 0 0 0
17.6922 -2.8360 0.1475 H 0 0 0 0 0 0 0 0 0 0 0 0
16.0186 -3.3175 0.6588 H 0 0 0 0 0 0 0 0 0 0 0 0
17.0048 -2.2490 1.6864 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4847 -0.9853 0.1168 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5623 -2.7099 0.7412 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7813 -2.3849 -2.5992 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0517 -1.9432 -2.1949 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9948 -3.3495 -1.6386 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6929 -2.0913 -0.4699 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5561 1.8399 0.7559 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2463 3.4246 0.6858 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9188 3.9393 0.5788 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1041 3.6448 -0.9401 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5977 0.7232 1.0491 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5606 3.2314 0.2751 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3810 2.0114 -0.6949 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3387 3.1473 0.4295 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9491 1.0390 0.8532 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3551 3.5589 1.7726 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9790 3.1602 2.6540 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9772 3.4010 0.6710 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1429 2.3240 1.4209 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9661 1.5890 0.2863 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9638 -1.6550 -0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5293 -3.0747 1.1420 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8019 -3.5619 2.2516 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9320 -4.1339 0.5806 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 1 0 0 0 0
4 6 2 0 0 0 0
6 7 1 0 0 0 0
7 8 2 0 0 0 0
7 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
10 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
14 16 1 0 0 0 0
16 17 2 0 0 0 0
17 18 1 0 0 0 0
17 19 1 0 0 0 0
19 20 2 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
25 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
38 39 1 0 0 0 0
39 40 1 0 0 0 0
40 41 1 0 0 0 0
40 42 1 0 0 0 0
42 43 1 0 0 0 0
43 44 1 0 0 0 0
44 45 1 0 0 0 0
45 46 1 0 0 0 0
46 47 1 0 0 0 0
47 48 1 0 0 0 0
48 49 1 0 0 0 0
49 50 1 0 0 0 0
50 51 1 0 0 0 0
51 52 1 0 0 0 0
51 53 1 0 0 0 0
53 54 1 0 0 0 0
53 55 1 0 0 0 0
46 56 1 0 0 0 0
56 57 1 0 0 0 0
56 58 1 0 0 0 0
58 59 1 0 0 0 0
58 60 1 0 0 0 0
42 61 1 0 0 0 0
61 62 1 0 0 0 0
61 63 1 0 0 0 0
36 64 1 0 0 0 0
64 65 1 0 0 0 0
64 66 1 0 0 0 0
31 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
27 72 1 0 0 0 0
72 73 1 0 0 0 0
72 74 1 0 0 0 0
21 75 2 0 0 0 0
75 76 1 0 0 0 0
76 77 2 0 0 0 0
8 2 1 0 0 0 0
76 12 1 0 0 0 0
13 6 1 0 0 0 0
75 16 1 0 0 0 0
74 23 1 0 0 0 0
71 29 1 0 0 0 0
66 33 1 0 0 0 0
63 38 1 0 0 0 0
60 44 1 0 0 0 0
55 48 1 0 0 0 0
1 78 1 0 0 0 0
1 79 1 0 0 0 0
1 80 1 0 0 0 0
3 81 1 0 0 0 0
5 82 1 0 0 0 0
8 83 1 0 0 0 0
9 84 1 0 0 0 0
9 85 1 0 0 0 0
10 86 1 1 0 0 0
11 87 1 0 0 0 0
18 88 1 0 0 0 0
19 89 1 0 0 0 0
20 90 1 0 0 0 0
23 91 1 6 0 0 0
24 92 1 0 0 0 0
24 93 1 0 0 0 0
25 94 1 1 0 0 0
26 95 1 0 0 0 0
27 96 1 1 0 0 0
29 97 1 1 0 0 0
30 98 1 0 0 0 0
30 99 1 0 0 0 0
31100 1 1 0 0 0
33101 1 1 0 0 0
34102 1 0 0 0 0
34103 1 0 0 0 0
35104 1 0 0 0 0
35105 1 0 0 0 0
36106 1 6 0 0 0
38107 1 6 0 0 0
39108 1 0 0 0 0
39109 1 0 0 0 0
40110 1 1 0 0 0
41111 1 0 0 0 0
42112 1 6 0 0 0
44113 1 6 0 0 0
45114 1 0 0 0 0
45115 1 0 0 0 0
46116 1 6 0 0 0
48117 1 6 0 0 0
49118 1 0 0 0 0
49119 1 0 0 0 0
50120 1 0 0 0 0
50121 1 0 0 0 0
51122 1 1 0 0 0
52123 1 0 0 0 0
53124 1 1 0 0 0
54125 1 0 0 0 0
54126 1 0 0 0 0
54127 1 0 0 0 0
56128 1 1 0 0 0
57129 1 0 0 0 0
58130 1 6 0 0 0
59131 1 0 0 0 0
59132 1 0 0 0 0
59133 1 0 0 0 0
61134 1 1 0 0 0
62135 1 0 0 0 0
62136 1 0 0 0 0
62137 1 0 0 0 0
64138 1 6 0 0 0
65139 1 0 0 0 0
65140 1 0 0 0 0
65141 1 0 0 0 0
67142 1 6 0 0 0
68143 1 0 0 0 0
69144 1 1 0 0 0
70145 1 0 0 0 0
70146 1 0 0 0 0
70147 1 0 0 0 0
72148 1 6 0 0 0
73149 1 0 0 0 0
73150 1 0 0 0 0
73151 1 0 0 0 0
M END
> <DATABASE_ID>
NP0011695
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H]OC1=C2C(=O)C3=C(C(=O)C2=C(O[C@]2([H])O[C@]([H])(C([H])([H])[H])[C@@]([H])(O[C@]4([H])O[C@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@]([H])(O[C@]5([H])O[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[C@]6([H])O[C@]([H])(C([H])([H])[H])[C@@]([H])(O[C@]7([H])O[C@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@]([H])(O[C@]8([H])O[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[H])C([H])([H])C8([H])[H])C7([H])[H])[C@]([H])(O[H])C6([H])[H])C([H])([H])C5([H])[H])C4([H])[H])[C@]([H])(O[H])C2([H])[H])C([H])=C1[H])[C@]([H])(O[H])C([H])([H])C1=C([H])C(=C([H])C(O[H])=C31)C([H])([H])[H]
> <INCHI_IDENTIFIER>
InChI=1S/C55H74O22/c1-21-14-28-16-32(59)47-49(45(28)31(58)15-21)53(65)46-30(57)8-10-36(48(46)52(47)64)73-42-18-34(61)55(27(7)71-42)77-44-20-38(51(63)25(5)69-44)75-40-13-11-35(23(3)67-40)72-41-17-33(60)54(26(6)70-41)76-43-19-37(50(62)24(4)68-43)74-39-12-9-29(56)22(2)66-39/h8,10,14-15,22-27,29,32-35,37-44,50-51,54-63H,9,11-13,16-20H2,1-7H3/t22-,23-,24+,25+,26+,27+,29-,32+,33+,34+,35-,37+,38+,39-,40-,41-,42-,43-,44-,50+,51+,54+,55+/m0/s1
> <INCHI_KEY>
YMSZNAXJMXNNPT-OPAYXXSESA-N
> <FORMULA>
C55H74O22
> <MOLECULAR_WEIGHT>
1087.175
> <EXACT_MASS>
1086.467174023
> <JCHEM_ACCEPTOR_COUNT>
22
> <JCHEM_ATOM_COUNT>
151
> <JCHEM_AVERAGE_POLARIZABILITY>
114.5485541974386
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
8
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
(6R)-1,6,11-trihydroxy-8-{[(2S,4R,5S,6R)-4-hydroxy-5-{[(2S,4R,5R,6R)-5-hydroxy-4-{[(2S,5S,6S)-5-{[(2S,4R,5S,6R)-4-hydroxy-5-{[(2S,4R,5R,6R)-5-hydroxy-4-{[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-3-methyl-5,6,7,12-tetrahydrotetraphene-7,12-dione
> <ALOGPS_LOGP>
1.93
> <JCHEM_LOGP>
4.6099134656666685
> <ALOGPS_LOGS>
-3.79
> <JCHEM_MDDR_LIKE_RULE>
1
> <JCHEM_NUMBER_OF_RINGS>
10
> <JCHEM_PHYSIOLOGICAL_CHARGE>
0
> <JCHEM_PKA>
8.84314942889286
> <JCHEM_PKA_STRONGEST_ACIDIC>
8.21732169763869
> <JCHEM_PKA_STRONGEST_BASIC>
-3.1508467822767194
> <JCHEM_POLAR_SURFACE_AREA>
306.74
> <JCHEM_REFRACTIVITY>
265.02750000000003
> <JCHEM_ROTATABLE_BOND_COUNT>
12
> <JCHEM_RULE_OF_FIVE>
0
> <ALOGPS_SOLUBILITY>
1.74e-01 g/l
> <JCHEM_TRADITIONAL_IUPAC>
(6R)-1,6,11-trihydroxy-8-{[(2S,4R,5S,6R)-4-hydroxy-5-{[(2S,4R,5R,6R)-5-hydroxy-4-{[(2S,5S,6S)-5-{[(2S,4R,5S,6R)-4-hydroxy-5-{[(2S,4R,5R,6R)-5-hydroxy-4-{[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-3-methyl-5,6-dihydrotetraphene-7,12-dione
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0011695 (Landomycin A)
RDKit 3D
151160 0 0 0 0 0 0 0 0999 V2000
-19.0100 0.6604 -0.1653 C 0 0 0 0 0 0 0 0 0 0 0 0
-17.5619 0.3289 -0.4191 C 0 0 0 0 0 0 0 0 0 0 0 0
-17.0427 0.4606 -1.6635 C 0 0 0 0 0 0 0 0 0 0 0 0
-15.6770 0.1303 -1.9527 C 0 0 0 0 0 0 0 0 0 0 0 0
-15.3833 0.3195 -3.2264 O 0 0 0 0 0 0 0 0 0 0 0 0
-14.9240 -0.3182 -0.9143 C 0 0 0 0 0 0 0 0 0 0 0 0
-15.4693 -0.4521 0.3788 C 0 0 0 0 0 0 0 0 0 0 0 0
-16.8025 -0.1186 0.5959 C 0 0 0 0 0 0 0 0 0 0 0 0
-14.5971 -0.9096 1.4759 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.4900 -1.8346 1.0464 C 0 0 1 0 0 0 0 0 0 0 0 0
-13.9053 -3.1294 0.7524 O 0 0 0 0 0 0 0 0 0 0 0 0
-12.8143 -1.2523 -0.1596 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.5313 -0.7291 -1.1752 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.8372 -0.2914 -2.3629 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.3522 0.1920 -3.3334 O 0 0 0 0 0 0 0 0 0 0 0 0
-11.3903 -0.4078 -2.4362 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.7130 0.0246 -3.5528 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.4131 0.5350 -4.6148 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.3348 -0.0557 -3.6248 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.6432 -0.5742 -2.5717 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.2939 -1.0005 -1.4741 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.6538 -1.5119 -0.3769 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.2398 -1.4847 -0.3257 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.8769 -0.0599 0.2021 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6522 -0.1795 1.6887 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.7158 -0.9365 2.2410 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3855 -1.0014 1.9266 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.2549 -0.2088 1.7680 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5397 -0.0070 2.9380 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.1018 -0.4360 2.9062 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1944 0.7406 2.8007 C 0 0 1 0 0 0 0 0 0 0 0 0
0.1156 0.4548 2.4455 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9898 1.1558 3.3276 C 0 0 1 0 0 0 0 0 0 0 0 0
2.0798 0.2456 3.7747 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4371 0.8782 3.4135 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5366 0.9508 1.9002 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5846 1.6820 1.4212 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4556 0.9040 0.6605 C 0 0 1 0 0 0 0 0 0 0 0 0
5.3228 1.1695 -0.8325 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4839 0.4407 -1.4992 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3006 0.4739 -2.8595 O 0 0 0 0 0 0 0 0 0 0 0 0
7.7678 1.1352 -1.0971 C 0 0 2 0 0 0 0 0 0 0 0 0
8.8695 0.3732 -1.0287 O 0 0 0 0 0 0 0 0 0 0 0 0
9.9115 0.6400 -1.8982 C 0 0 1 0 0 0 0 0 0 0 0 0
11.2093 0.9035 -1.1931 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0360 -0.3676 -1.1516 C 0 0 1 0 0 0 0 0 0 0 0 0
13.1210 -0.2423 -0.2975 O 0 0 0 0 0 0 0 0 0 0 0 0
14.2856 -0.4724 -1.0409 C 0 0 1 0 0 0 0 0 0 0 0 0
15.1530 0.7739 -1.1272 C 0 0 0 0 0 0 0 0 0 0 0 0
16.4413 0.3556 -1.8240 C 0 0 0 0 0 0 0 0 0 0 0 0
17.1636 -0.6696 -1.0148 C 0 0 2 0 0 0 0 0 0 0 0 0
17.7501 -1.6423 -1.8258 O 0 0 0 0 0 0 0 0 0 0 0 0
16.1967 -1.2272 0.0050 C 0 0 2 0 0 0 0 0 0 0 0 0
16.7473 -2.5005 0.6225 C 0 0 0 0 0 0 0 0 0 0 0 0
14.9738 -1.5403 -0.5374 O 0 0 0 0 0 0 0 0 0 0 0 0
11.0579 -1.4436 -0.7063 C 0 0 2 0 0 0 0 0 0 0 0 0
11.6432 -2.5830 -0.2484 O 0 0 0 0 0 0 0 0 0 0 0 0
10.1963 -1.6626 -1.9597 C 0 0 1 0 0 0 0 0 0 0 0 0
8.8845 -2.2192 -1.5442 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0755 -0.4892 -2.7042 O 0 0 0 0 0 0 0 0 0 0 0 0
7.5577 1.8356 0.2483 C 0 0 1 0 0 0 0 0 0 0 0 0
7.1592 3.2702 0.0836 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7275 1.1029 1.0526 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2127 1.5754 1.4507 C 0 0 2 0 0 0 0 0 0 0 0 0
2.4385 2.5141 0.3210 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5677 2.1621 2.4896 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7939 1.6784 1.7282 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.9351 2.7168 1.4128 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1512 2.1652 2.2181 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.0991 2.3671 1.0702 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6124 1.3368 3.2376 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3955 -2.0424 0.8402 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.6404 -3.2892 1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7358 -2.4222 0.5449 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.6756 -0.9234 -1.3945 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.3788 -1.3666 -0.2114 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.7065 -1.8258 0.7398 O 0 0 0 0 0 0 0 0 0 0 0 0
-19.2437 1.5872 -0.6788 H 0 0 0 0 0 0 0 0 0 0 0 0
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-7.7846 0.5823 0.0991 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6636 0.7953 2.1647 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4289 -1.1684 3.1606 H 0 0 0 0 0 0 0 0 0 0 0 0
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-4.0568 -0.5621 3.7632 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9110 -1.1689 2.0562 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8196 -1.0133 3.8199 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2110 1.3266 3.7287 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4526 1.6725 4.1373 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0644 -0.7410 3.2629 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0285 0.0706 4.8709 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2207 0.2256 3.8126 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4554 1.8482 3.9153 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6133 -0.0673 1.5070 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0585 -0.1540 0.7653 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3549 0.6671 -1.1995 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2145 2.2019 -1.1169 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4304 -0.5911 -1.1451 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0351 0.9720 -3.3310 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9088 1.9601 -1.8491 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6452 1.4705 -2.5446 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0977 1.1716 -0.1222 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8499 1.6751 -1.6610 H 0 0 0 0 0 0 0 0 0 0 0 0
12.3765 -0.6093 -2.1582 H 0 0 0 0 0 0 0 0 0 0 0 0
14.0534 -0.6994 -2.1260 H 0 0 0 0 0 0 0 0 0 0 0 0
15.3619 1.2113 -0.1677 H 0 0 0 0 0 0 0 0 0 0 0 0
14.6444 1.5032 -1.8295 H 0 0 0 0 0 0 0 0 0 0 0 0
17.0465 1.1807 -2.1813 H 0 0 0 0 0 0 0 0 0 0 0 0
16.0456 -0.2036 -2.7325 H 0 0 0 0 0 0 0 0 0 0 0 0
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17.1323 -2.3462 -2.1022 H 0 0 0 0 0 0 0 0 0 0 0 0
16.0725 -0.4738 0.7805 H 0 0 0 0 0 0 0 0 0 0 0 0
17.6922 -2.8360 0.1475 H 0 0 0 0 0 0 0 0 0 0 0 0
16.0186 -3.3175 0.6588 H 0 0 0 0 0 0 0 0 0 0 0 0
17.0048 -2.2490 1.6864 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4847 -0.9853 0.1168 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5623 -2.7099 0.7412 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7813 -2.3849 -2.5992 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0517 -1.9432 -2.1949 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9948 -3.3495 -1.6386 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6929 -2.0913 -0.4699 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5561 1.8399 0.7559 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2463 3.4246 0.6858 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9188 3.9393 0.5788 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1041 3.6448 -0.9401 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5977 0.7232 1.0491 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5606 3.2314 0.2751 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3810 2.0114 -0.6949 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3387 3.1473 0.4295 H 0 0 0 0 0 0 0 0 0 0 0 0
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-4.9320 -4.1339 0.5806 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 1 0
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48117 1 6
49118 1 0
49119 1 0
50120 1 0
50121 1 0
51122 1 1
52123 1 0
53124 1 1
54125 1 0
54126 1 0
54127 1 0
56128 1 1
57129 1 0
58130 1 6
59131 1 0
59132 1 0
59133 1 0
61134 1 1
62135 1 0
62136 1 0
62137 1 0
64138 1 6
65139 1 0
65140 1 0
65141 1 0
67142 1 6
68143 1 0
69144 1 1
70145 1 0
70146 1 0
70147 1 0
72148 1 6
73149 1 0
73150 1 0
73151 1 0
M END
PDB for NP0011695 (Landomycin A)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 -19.010 0.660 -0.165 0.00 0.00 C+0 HETATM 2 C UNK 0 -17.562 0.329 -0.419 0.00 0.00 C+0 HETATM 3 C UNK 0 -17.043 0.461 -1.664 0.00 0.00 C+0 HETATM 4 C UNK 0 -15.677 0.130 -1.953 0.00 0.00 C+0 HETATM 5 O UNK 0 -15.383 0.320 -3.226 0.00 0.00 O+0 HETATM 6 C UNK 0 -14.924 -0.318 -0.914 0.00 0.00 C+0 HETATM 7 C UNK 0 -15.469 -0.452 0.379 0.00 0.00 C+0 HETATM 8 C UNK 0 -16.802 -0.119 0.596 0.00 0.00 C+0 HETATM 9 C UNK 0 -14.597 -0.910 1.476 0.00 0.00 C+0 HETATM 10 C UNK 0 -13.490 -1.835 1.046 0.00 0.00 C+0 HETATM 11 O UNK 0 -13.905 -3.129 0.752 0.00 0.00 O+0 HETATM 12 C UNK 0 -12.814 -1.252 -0.160 0.00 0.00 C+0 HETATM 13 C UNK 0 -13.531 -0.729 -1.175 0.00 0.00 C+0 HETATM 14 C UNK 0 -12.837 -0.291 -2.363 0.00 0.00 C+0 HETATM 15 O UNK 0 -13.352 0.192 -3.333 0.00 0.00 O+0 HETATM 16 C UNK 0 -11.390 -0.408 -2.436 0.00 0.00 C+0 HETATM 17 C UNK 0 -10.713 0.025 -3.553 0.00 0.00 C+0 HETATM 18 O UNK 0 -11.413 0.535 -4.615 0.00 0.00 O+0 HETATM 19 C UNK 0 -9.335 -0.056 -3.625 0.00 0.00 C+0 HETATM 20 C UNK 0 -8.643 -0.574 -2.572 0.00 0.00 C+0 HETATM 21 C UNK 0 -9.294 -1.000 -1.474 0.00 0.00 C+0 HETATM 22 O UNK 0 -8.654 -1.512 -0.377 0.00 0.00 O+0 HETATM 23 C UNK 0 -7.240 -1.485 -0.326 0.00 0.00 C+0 HETATM 24 C UNK 0 -6.877 -0.060 0.202 0.00 0.00 C+0 HETATM 25 C UNK 0 -6.652 -0.180 1.689 0.00 0.00 C+0 HETATM 26 O UNK 0 -7.716 -0.937 2.241 0.00 0.00 O+0 HETATM 27 C UNK 0 -5.386 -1.001 1.927 0.00 0.00 C+0 HETATM 28 O UNK 0 -4.255 -0.209 1.768 0.00 0.00 O+0 HETATM 29 C UNK 0 -3.540 -0.007 2.938 0.00 0.00 C+0 HETATM 30 C UNK 0 -2.102 -0.436 2.906 0.00 0.00 C+0 HETATM 31 C UNK 0 -1.194 0.741 2.801 0.00 0.00 C+0 HETATM 32 O UNK 0 0.116 0.455 2.446 0.00 0.00 O+0 HETATM 33 C UNK 0 0.990 1.156 3.328 0.00 0.00 C+0 HETATM 34 C UNK 0 2.080 0.246 3.775 0.00 0.00 C+0 HETATM 35 C UNK 0 3.437 0.878 3.414 0.00 0.00 C+0 HETATM 36 C UNK 0 3.537 0.951 1.900 0.00 0.00 C+0 HETATM 37 O UNK 0 4.585 1.682 1.421 0.00 0.00 O+0 HETATM 38 C UNK 0 5.456 0.904 0.661 0.00 0.00 C+0 HETATM 39 C UNK 0 5.323 1.169 -0.833 0.00 0.00 C+0 HETATM 40 C UNK 0 6.484 0.441 -1.499 0.00 0.00 C+0 HETATM 41 O UNK 0 6.301 0.474 -2.860 0.00 0.00 O+0 HETATM 42 C UNK 0 7.768 1.135 -1.097 0.00 0.00 C+0 HETATM 43 O UNK 0 8.870 0.373 -1.029 0.00 0.00 O+0 HETATM 44 C UNK 0 9.912 0.640 -1.898 0.00 0.00 C+0 HETATM 45 C UNK 0 11.209 0.904 -1.193 0.00 0.00 C+0 HETATM 46 C UNK 0 12.036 -0.368 -1.152 0.00 0.00 C+0 HETATM 47 O UNK 0 13.121 -0.242 -0.298 0.00 0.00 O+0 HETATM 48 C UNK 0 14.286 -0.472 -1.041 0.00 0.00 C+0 HETATM 49 C UNK 0 15.153 0.774 -1.127 0.00 0.00 C+0 HETATM 50 C UNK 0 16.441 0.356 -1.824 0.00 0.00 C+0 HETATM 51 C UNK 0 17.164 -0.670 -1.015 0.00 0.00 C+0 HETATM 52 O UNK 0 17.750 -1.642 -1.826 0.00 0.00 O+0 HETATM 53 C UNK 0 16.197 -1.227 0.005 0.00 0.00 C+0 HETATM 54 C UNK 0 16.747 -2.501 0.623 0.00 0.00 C+0 HETATM 55 O UNK 0 14.974 -1.540 -0.537 0.00 0.00 O+0 HETATM 56 C UNK 0 11.058 -1.444 -0.706 0.00 0.00 C+0 HETATM 57 O UNK 0 11.643 -2.583 -0.248 0.00 0.00 O+0 HETATM 58 C UNK 0 10.196 -1.663 -1.960 0.00 0.00 C+0 HETATM 59 C UNK 0 8.884 -2.219 -1.544 0.00 0.00 C+0 HETATM 60 O UNK 0 10.075 -0.489 -2.704 0.00 0.00 O+0 HETATM 61 C UNK 0 7.558 1.836 0.248 0.00 0.00 C+0 HETATM 62 C UNK 0 7.159 3.270 0.084 0.00 0.00 C+0 HETATM 63 O UNK 0 6.728 1.103 1.053 0.00 0.00 O+0 HETATM 64 C UNK 0 2.213 1.575 1.451 0.00 0.00 C+0 HETATM 65 C UNK 0 2.438 2.514 0.321 0.00 0.00 C+0 HETATM 66 O UNK 0 1.568 2.162 2.490 0.00 0.00 O+0 HETATM 67 C UNK 0 -1.794 1.678 1.728 0.00 0.00 C+0 HETATM 68 O UNK 0 -0.935 2.717 1.413 0.00 0.00 O+0 HETATM 69 C UNK 0 -3.151 2.165 2.218 0.00 0.00 C+0 HETATM 70 C UNK 0 -4.099 2.367 1.070 0.00 0.00 C+0 HETATM 71 O UNK 0 -3.612 1.337 3.238 0.00 0.00 O+0 HETATM 72 C UNK 0 -5.396 -2.042 0.840 0.00 0.00 C+0 HETATM 73 C UNK 0 -4.640 -3.289 1.215 0.00 0.00 C+0 HETATM 74 O UNK 0 -6.736 -2.422 0.545 0.00 0.00 O+0 HETATM 75 C UNK 0 -10.676 -0.923 -1.395 0.00 0.00 C+0 HETATM 76 C UNK 0 -11.379 -1.367 -0.211 0.00 0.00 C+0 HETATM 77 O UNK 0 -10.707 -1.826 0.740 0.00 0.00 O+0 HETATM 78 H UNK 0 -19.244 1.587 -0.679 0.00 0.00 H+0 HETATM 79 H UNK 0 -19.224 0.604 0.915 0.00 0.00 H+0 HETATM 80 H UNK 0 -19.590 -0.199 -0.638 0.00 0.00 H+0 HETATM 81 H UNK 0 -17.679 0.819 -2.435 0.00 0.00 H+0 HETATM 82 H UNK 0 -15.136 0.441 -4.075 0.00 0.00 H+0 HETATM 83 H UNK 0 -17.141 -0.253 1.615 0.00 0.00 H+0 HETATM 84 H UNK 0 -14.161 -0.040 2.031 0.00 0.00 H+0 HETATM 85 H UNK 0 -15.247 -1.455 2.178 0.00 0.00 H+0 HETATM 86 H UNK 0 -12.738 -1.882 1.862 0.00 0.00 H+0 HETATM 87 H UNK 0 -14.474 -3.545 1.427 0.00 0.00 H+0 HETATM 88 H UNK 0 -10.937 0.848 -5.441 0.00 0.00 H+0 HETATM 89 H UNK 0 -8.815 0.293 -4.501 0.00 0.00 H+0 HETATM 90 H UNK 0 -7.558 -0.639 -2.665 0.00 0.00 H+0 HETATM 91 H UNK 0 -6.745 -1.553 -1.308 0.00 0.00 H+0 HETATM 92 H UNK 0 -5.990 0.273 -0.310 0.00 0.00 H+0 HETATM 93 H UNK 0 -7.785 0.582 0.099 0.00 0.00 H+0 HETATM 94 H UNK 0 -6.664 0.795 2.165 0.00 0.00 H+0 HETATM 95 H UNK 0 -7.429 -1.168 3.161 0.00 0.00 H+0 HETATM 96 H UNK 0 -5.510 -1.434 2.895 0.00 0.00 H+0 HETATM 97 H UNK 0 -4.057 -0.562 3.763 0.00 0.00 H+0 HETATM 98 H UNK 0 -1.911 -1.169 2.056 0.00 0.00 H+0 HETATM 99 H UNK 0 -1.820 -1.013 3.820 0.00 0.00 H+0 HETATM 100 H UNK 0 -1.211 1.327 3.729 0.00 0.00 H+0 HETATM 101 H UNK 0 0.453 1.673 4.137 0.00 0.00 H+0 HETATM 102 H UNK 0 2.064 -0.741 3.263 0.00 0.00 H+0 HETATM 103 H UNK 0 2.029 0.071 4.871 0.00 0.00 H+0 HETATM 104 H UNK 0 4.221 0.226 3.813 0.00 0.00 H+0 HETATM 105 H UNK 0 3.455 1.848 3.915 0.00 0.00 H+0 HETATM 106 H UNK 0 3.613 -0.067 1.507 0.00 0.00 H+0 HETATM 107 H UNK 0 5.059 -0.154 0.765 0.00 0.00 H+0 HETATM 108 H UNK 0 4.355 0.667 -1.200 0.00 0.00 H+0 HETATM 109 H UNK 0 5.215 2.202 -1.117 0.00 0.00 H+0 HETATM 110 H UNK 0 6.430 -0.591 -1.145 0.00 0.00 H+0 HETATM 111 H UNK 0 7.035 0.972 -3.331 0.00 0.00 H+0 HETATM 112 H UNK 0 7.909 1.960 -1.849 0.00 0.00 H+0 HETATM 113 H UNK 0 9.645 1.470 -2.545 0.00 0.00 H+0 HETATM 114 H UNK 0 11.098 1.172 -0.122 0.00 0.00 H+0 HETATM 115 H UNK 0 11.850 1.675 -1.661 0.00 0.00 H+0 HETATM 116 H UNK 0 12.377 -0.609 -2.158 0.00 0.00 H+0 HETATM 117 H UNK 0 14.053 -0.699 -2.126 0.00 0.00 H+0 HETATM 118 H UNK 0 15.362 1.211 -0.168 0.00 0.00 H+0 HETATM 119 H UNK 0 14.644 1.503 -1.829 0.00 0.00 H+0 HETATM 120 H UNK 0 17.047 1.181 -2.181 0.00 0.00 H+0 HETATM 121 H UNK 0 16.046 -0.204 -2.732 0.00 0.00 H+0 HETATM 122 H UNK 0 17.983 -0.167 -0.458 0.00 0.00 H+0 HETATM 123 H UNK 0 17.132 -2.346 -2.102 0.00 0.00 H+0 HETATM 124 H UNK 0 16.073 -0.474 0.781 0.00 0.00 H+0 HETATM 125 H UNK 0 17.692 -2.836 0.148 0.00 0.00 H+0 HETATM 126 H UNK 0 16.019 -3.317 0.659 0.00 0.00 H+0 HETATM 127 H UNK 0 17.005 -2.249 1.686 0.00 0.00 H+0 HETATM 128 H UNK 0 10.485 -0.985 0.117 0.00 0.00 H+0 HETATM 129 H UNK 0 11.562 -2.710 0.741 0.00 0.00 H+0 HETATM 130 H UNK 0 10.781 -2.385 -2.599 0.00 0.00 H+0 HETATM 131 H UNK 0 8.052 -1.943 -2.195 0.00 0.00 H+0 HETATM 132 H UNK 0 8.995 -3.349 -1.639 0.00 0.00 H+0 HETATM 133 H UNK 0 8.693 -2.091 -0.470 0.00 0.00 H+0 HETATM 134 H UNK 0 8.556 1.840 0.756 0.00 0.00 H+0 HETATM 135 H UNK 0 6.246 3.425 0.686 0.00 0.00 H+0 HETATM 136 H UNK 0 7.919 3.939 0.579 0.00 0.00 H+0 HETATM 137 H UNK 0 7.104 3.645 -0.940 0.00 0.00 H+0 HETATM 138 H UNK 0 1.598 0.723 1.049 0.00 0.00 H+0 HETATM 139 H UNK 0 1.561 3.231 0.275 0.00 0.00 H+0 HETATM 140 H UNK 0 2.381 2.011 -0.695 0.00 0.00 H+0 HETATM 141 H UNK 0 3.339 3.147 0.430 0.00 0.00 H+0 HETATM 142 H UNK 0 -1.949 1.039 0.853 0.00 0.00 H+0 HETATM 143 H UNK 0 -1.355 3.559 1.773 0.00 0.00 H+0 HETATM 144 H UNK 0 -2.979 3.160 2.654 0.00 0.00 H+0 HETATM 145 H UNK 0 -3.977 3.401 0.671 0.00 0.00 H+0 HETATM 146 H UNK 0 -5.143 2.324 1.421 0.00 0.00 H+0 HETATM 147 H UNK 0 -3.966 1.589 0.286 0.00 0.00 H+0 HETATM 148 H UNK 0 -4.964 -1.655 -0.111 0.00 0.00 H+0 HETATM 149 H UNK 0 -3.529 -3.075 1.142 0.00 0.00 H+0 HETATM 150 H UNK 0 -4.802 -3.562 2.252 0.00 0.00 H+0 HETATM 151 H UNK 0 -4.932 -4.134 0.581 0.00 0.00 H+0 CONECT 1 2 78 79 80 CONECT 2 1 3 8 CONECT 3 2 4 81 CONECT 4 3 5 6 CONECT 5 4 82 CONECT 6 4 7 13 CONECT 7 6 8 9 CONECT 8 7 2 83 CONECT 9 7 10 84 85 CONECT 10 9 11 12 86 CONECT 11 10 87 CONECT 12 10 13 76 CONECT 13 12 14 6 CONECT 14 13 15 16 CONECT 15 14 CONECT 16 14 17 75 CONECT 17 16 18 19 CONECT 18 17 88 CONECT 19 17 20 89 CONECT 20 19 21 90 CONECT 21 20 22 75 CONECT 22 21 23 CONECT 23 22 24 74 91 CONECT 24 23 25 92 93 CONECT 25 24 26 27 94 CONECT 26 25 95 CONECT 27 25 28 72 96 CONECT 28 27 29 CONECT 29 28 30 71 97 CONECT 30 29 31 98 99 CONECT 31 30 32 67 100 CONECT 32 31 33 CONECT 33 32 34 66 101 CONECT 34 33 35 102 103 CONECT 35 34 36 104 105 CONECT 36 35 37 64 106 CONECT 37 36 38 CONECT 38 37 39 63 107 CONECT 39 38 40 108 109 CONECT 40 39 41 42 110 CONECT 41 40 111 CONECT 42 40 43 61 112 CONECT 43 42 44 CONECT 44 43 45 60 113 CONECT 45 44 46 114 115 CONECT 46 45 47 56 116 CONECT 47 46 48 CONECT 48 47 49 55 117 CONECT 49 48 50 118 119 CONECT 50 49 51 120 121 CONECT 51 50 52 53 122 CONECT 52 51 123 CONECT 53 51 54 55 124 CONECT 54 53 125 126 127 CONECT 55 53 48 CONECT 56 46 57 58 128 CONECT 57 56 129 CONECT 58 56 59 60 130 CONECT 59 58 131 132 133 CONECT 60 58 44 CONECT 61 42 62 63 134 CONECT 62 61 135 136 137 CONECT 63 61 38 CONECT 64 36 65 66 138 CONECT 65 64 139 140 141 CONECT 66 64 33 CONECT 67 31 68 69 142 CONECT 68 67 143 CONECT 69 67 70 71 144 CONECT 70 69 145 146 147 CONECT 71 69 29 CONECT 72 27 73 74 148 CONECT 73 72 149 150 151 CONECT 74 72 23 CONECT 75 21 76 16 CONECT 76 75 77 12 CONECT 77 76 CONECT 78 1 CONECT 79 1 CONECT 80 1 CONECT 81 3 CONECT 82 5 CONECT 83 8 CONECT 84 9 CONECT 85 9 CONECT 86 10 CONECT 87 11 CONECT 88 18 CONECT 89 19 CONECT 90 20 CONECT 91 23 CONECT 92 24 CONECT 93 24 CONECT 94 25 CONECT 95 26 CONECT 96 27 CONECT 97 29 CONECT 98 30 CONECT 99 30 CONECT 100 31 CONECT 101 33 CONECT 102 34 CONECT 103 34 CONECT 104 35 CONECT 105 35 CONECT 106 36 CONECT 107 38 CONECT 108 39 CONECT 109 39 CONECT 110 40 CONECT 111 41 CONECT 112 42 CONECT 113 44 CONECT 114 45 CONECT 115 45 CONECT 116 46 CONECT 117 48 CONECT 118 49 CONECT 119 49 CONECT 120 50 CONECT 121 50 CONECT 122 51 CONECT 123 52 CONECT 124 53 CONECT 125 54 CONECT 126 54 CONECT 127 54 CONECT 128 56 CONECT 129 57 CONECT 130 58 CONECT 131 59 CONECT 132 59 CONECT 133 59 CONECT 134 61 CONECT 135 62 CONECT 136 62 CONECT 137 62 CONECT 138 64 CONECT 139 65 CONECT 140 65 CONECT 141 65 CONECT 142 67 CONECT 143 68 CONECT 144 69 CONECT 145 70 CONECT 146 70 CONECT 147 70 CONECT 148 72 CONECT 149 73 CONECT 150 73 CONECT 151 73 MASTER 0 0 0 0 0 0 0 0 151 0 320 0 END SMILES for NP0011695 (Landomycin A)[H]OC1=C2C(=O)C3=C(C(=O)C2=C(O[C@]2([H])O[C@]([H])(C([H])([H])[H])[C@@]([H])(O[C@]4([H])O[C@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@]([H])(O[C@]5([H])O[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[C@]6([H])O[C@]([H])(C([H])([H])[H])[C@@]([H])(O[C@]7([H])O[C@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@]([H])(O[C@]8([H])O[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[H])C([H])([H])C8([H])[H])C7([H])[H])[C@]([H])(O[H])C6([H])[H])C([H])([H])C5([H])[H])C4([H])[H])[C@]([H])(O[H])C2([H])[H])C([H])=C1[H])[C@]([H])(O[H])C([H])([H])C1=C([H])C(=C([H])C(O[H])=C31)C([H])([H])[H] INCHI for NP0011695 (Landomycin A)InChI=1S/C55H74O22/c1-21-14-28-16-32(59)47-49(45(28)31(58)15-21)53(65)46-30(57)8-10-36(48(46)52(47)64)73-42-18-34(61)55(27(7)71-42)77-44-20-38(51(63)25(5)69-44)75-40-13-11-35(23(3)67-40)72-41-17-33(60)54(26(6)70-41)76-43-19-37(50(62)24(4)68-43)74-39-12-9-29(56)22(2)66-39/h8,10,14-15,22-27,29,32-35,37-44,50-51,54-63H,9,11-13,16-20H2,1-7H3/t22-,23-,24+,25+,26+,27+,29-,32+,33+,34+,35-,37+,38+,39-,40-,41-,42-,43-,44-,50+,51+,54+,55+/m0/s1 3D Structure for NP0011695 (Landomycin A) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Formula | C55H74O22 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 1087.1750 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 1086.46717 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | (6R)-1,6,11-trihydroxy-8-{[(2S,4R,5S,6R)-4-hydroxy-5-{[(2S,4R,5R,6R)-5-hydroxy-4-{[(2S,5S,6S)-5-{[(2S,4R,5S,6R)-4-hydroxy-5-{[(2S,4R,5R,6R)-5-hydroxy-4-{[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-3-methyl-5,6,7,12-tetrahydrotetraphene-7,12-dione | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | (6R)-1,6,11-trihydroxy-8-{[(2S,4R,5S,6R)-4-hydroxy-5-{[(2S,4R,5R,6R)-5-hydroxy-4-{[(2S,5S,6S)-5-{[(2S,4R,5S,6R)-4-hydroxy-5-{[(2S,4R,5R,6R)-5-hydroxy-4-{[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-3-methyl-5,6-dihydrotetraphene-7,12-dione | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | C[C@@H]1O[C@H](CC[C@@H]1O)O[C@@H]1C[C@H](O[C@@H]2[C@@H](C)O[C@H](C[C@H]2O)O[C@H]2CC[C@H](O[C@@H]3C[C@H](O[C@@H]4[C@@H](C)O[C@H](C[C@H]4O)OC4=C5C(=O)C6=C(C(=O)C5=C(O)C=C4)C4=C(O)C=C(C)C=C4C[C@H]6O)O[C@H](C)[C@H]3O)O[C@H]2C)O[C@H](C)[C@H]1O | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C55H74O22/c1-21-14-28-16-32(59)47-49(45(28)31(58)15-21)53(65)46-30(57)8-10-36(48(46)52(47)64)73-42-18-34(61)55(27(7)71-42)77-44-20-38(51(63)25(5)69-44)75-40-13-11-35(23(3)67-40)72-41-17-33(60)54(26(6)70-41)76-43-19-37(50(62)24(4)68-43)74-39-12-9-29(56)22(2)66-39/h8,10,14-15,22-27,29,32-35,37-44,50-51,54-63H,9,11-13,16-20H2,1-7H3/t22-,23-,24+,25+,26+,27+,29-,32+,33+,34+,35-,37+,38+,39-,40-,41-,42-,43-,44-,50+,51+,54+,55+/m0/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | YMSZNAXJMXNNPT-OPAYXXSESA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Chemical Shift Submissions | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species of Origin |
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| Species Where Detected |
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| Chemical Taxonomy | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Classification | Not classified | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Physical Properties | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| State | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Properties |
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| Predicted Properties |
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| External Links | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NPAtlas ID | NPA004350 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemspider ID | 8164333 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KEGG Compound ID | C18822 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PubChem Compound | 9988748 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References |
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