Showing NP-Card for Neopestalotin A (NP0013930)
| Record Information | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2021-01-05 23:13:10 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-07-15 17:15:51 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0013930 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Neopestalotin A | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | NPAtlas![]() | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Neopestalotin A is found in Neopestalotiopsis sp. Based on a literature review very few articles have been published on (2Z)-4-[(1S,2R,4aS,6R,8aR)-6-hydroxy-1,3,6-trimethyl-2-[(1E)-prop-1-en-1-yl]-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-2-ethylidene-2H-pyrrole-3,5-diol. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure | MOL for NP0013930 (Neopestalotin A)
Mrv1652306242119513D
59 61 0 0 0 0 999 V2000
7.0940 -0.7083 0.4190 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7745 -0.9969 1.0286 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6368 -0.6824 0.4001 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6218 -0.0687 -0.8568 N 0 0 0 0 0 0 0 0 0 0 0 0
3.2459 0.0965 -1.1789 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8499 0.6327 -2.2712 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4369 -0.4255 -0.1004 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9897 -0.5078 0.0746 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5593 -1.0328 1.1722 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0717 -0.0615 -0.8493 C 0 0 2 0 0 0 0 0 0 0 0 0
0.1654 -0.7169 -2.1841 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0798 1.4522 -0.9031 C 0 0 2 0 0 0 0 0 0 0 0 0
0.4795 1.9604 0.3621 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1360 2.8000 1.1677 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5023 3.2689 2.4350 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4156 2.0102 -1.1933 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5162 3.4974 -1.4430 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5418 1.3390 -1.2793 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5692 -0.1140 -1.0839 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.8736 -0.6046 -0.4944 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.7207 -1.5493 0.6361 C 0 0 2 0 0 0 0 0 0 0 0 0
-5.0262 -2.3511 0.7435 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6462 -0.8264 1.8478 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6096 -2.5381 0.5531 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.4582 -2.0735 -0.3262 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.3949 -0.5746 -0.3016 C 0 0 1 0 0 0 0 0 0 0 0 0
3.2823 -0.8879 0.8369 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9431 -1.4902 2.0748 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9862 -0.7839 -0.7015 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4199 0.2969 0.7182 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8366 -1.4535 0.7767 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6614 -1.4742 2.0079 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4023 0.2308 -1.4789 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7201 -1.2563 -2.5914 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3325 0.1029 -2.9380 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0620 -1.3426 -2.1773 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5666 1.7669 -1.7327 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4815 1.6470 0.6986 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1079 3.1459 0.9150 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5056 2.8312 2.5607 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6386 4.3703 2.3479 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0943 3.0621 3.3231 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7184 3.6754 -2.5424 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4005 3.9358 -0.9365 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5710 4.0170 -1.2471 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4993 1.8290 -1.4982 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5356 -0.5981 -2.1078 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3890 0.3182 -0.0974 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5658 -1.0066 -1.2601 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9098 -3.2983 0.1556 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8646 -1.8017 0.2470 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2923 -2.5679 1.7798 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5596 -0.5607 2.0829 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9140 -3.5350 0.2169 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1899 -2.6710 1.5840 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7765 -2.3993 -1.3659 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5608 -2.5759 -0.0158 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4935 -0.2801 0.7733 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7478 -2.4710 2.1042 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
5 6 2 0 0 0 0
5 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
10 8 1 1 0 0 0
10 11 1 0 0 0 0
10 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
12 16 1 0 0 0 0
16 17 1 0 0 0 0
16 18 2 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
21 23 1 1 0 0 0
21 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
7 27 2 0 0 0 0
27 28 1 0 0 0 0
27 3 1 0 0 0 0
26 10 1 0 0 0 0
26 19 1 0 0 0 0
1 29 1 0 0 0 0
1 30 1 0 0 0 0
1 31 1 0 0 0 0
2 32 1 0 0 0 0
4 33 1 0 0 0 0
11 34 1 0 0 0 0
11 35 1 0 0 0 0
11 36 1 0 0 0 0
12 37 1 6 0 0 0
13 38 1 0 0 0 0
14 39 1 0 0 0 0
15 40 1 0 0 0 0
15 41 1 0 0 0 0
15 42 1 0 0 0 0
17 43 1 0 0 0 0
17 44 1 0 0 0 0
17 45 1 0 0 0 0
18 46 1 0 0 0 0
19 47 1 6 0 0 0
20 48 1 0 0 0 0
20 49 1 0 0 0 0
22 50 1 0 0 0 0
22 51 1 0 0 0 0
22 52 1 0 0 0 0
23 53 1 0 0 0 0
24 54 1 0 0 0 0
24 55 1 0 0 0 0
25 56 1 0 0 0 0
25 57 1 0 0 0 0
26 58 1 1 0 0 0
28 59 1 0 0 0 0
M END
3D MOL for NP0013930 (Neopestalotin A)
RDKit 3D
59 61 0 0 0 0 0 0 0 0999 V2000
7.0940 -0.7083 0.4190 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7745 -0.9969 1.0286 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6368 -0.6824 0.4001 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6218 -0.0687 -0.8568 N 0 0 0 0 0 0 0 0 0 0 0 0
3.2459 0.0965 -1.1789 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8499 0.6327 -2.2712 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4369 -0.4255 -0.1004 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9897 -0.5078 0.0746 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5593 -1.0328 1.1722 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0717 -0.0615 -0.8493 C 0 0 2 0 0 0 0 0 0 0 0 0
0.1654 -0.7169 -2.1841 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0798 1.4522 -0.9031 C 0 0 2 0 0 0 0 0 0 0 0 0
0.4795 1.9604 0.3621 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1360 2.8000 1.1677 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5023 3.2689 2.4350 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4156 2.0102 -1.1933 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5162 3.4974 -1.4430 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5418 1.3390 -1.2793 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5692 -0.1140 -1.0839 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.8736 -0.6046 -0.4944 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7207 -1.5493 0.6361 C 0 0 2 0 0 0 0 0 0 0 0 0
-5.0262 -2.3511 0.7435 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6462 -0.8264 1.8478 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6096 -2.5381 0.5531 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4582 -2.0735 -0.3262 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3949 -0.5746 -0.3016 C 0 0 1 0 0 0 0 0 0 0 0 0
3.2823 -0.8879 0.8369 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9431 -1.4902 2.0748 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9862 -0.7839 -0.7015 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4199 0.2969 0.7182 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8366 -1.4535 0.7767 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6614 -1.4742 2.0079 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4023 0.2308 -1.4789 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7201 -1.2563 -2.5914 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3325 0.1029 -2.9380 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0620 -1.3426 -2.1773 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5666 1.7669 -1.7327 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4815 1.6470 0.6986 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1079 3.1459 0.9150 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5056 2.8312 2.5607 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6386 4.3703 2.3479 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0943 3.0621 3.3231 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7184 3.6754 -2.5424 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4005 3.9358 -0.9365 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5710 4.0170 -1.2471 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4993 1.8290 -1.4982 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5356 -0.5981 -2.1078 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3890 0.3182 -0.0974 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5658 -1.0066 -1.2601 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9098 -3.2983 0.1556 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8646 -1.8017 0.2470 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2923 -2.5679 1.7798 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5596 -0.5607 2.0829 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9140 -3.5350 0.2169 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1899 -2.6710 1.5840 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7765 -2.3993 -1.3659 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5608 -2.5759 -0.0158 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4935 -0.2801 0.7733 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7478 -2.4710 2.1042 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
5 6 2 0
5 7 1 0
7 8 1 0
8 9 2 0
10 8 1 1
10 11 1 0
10 12 1 0
12 13 1 0
13 14 2 0
14 15 1 0
12 16 1 0
16 17 1 0
16 18 2 0
18 19 1 0
19 20 1 0
20 21 1 0
21 22 1 0
21 23 1 1
21 24 1 0
24 25 1 0
25 26 1 0
7 27 2 0
27 28 1 0
27 3 1 0
26 10 1 0
26 19 1 0
1 29 1 0
1 30 1 0
1 31 1 0
2 32 1 0
4 33 1 0
11 34 1 0
11 35 1 0
11 36 1 0
12 37 1 6
13 38 1 0
14 39 1 0
15 40 1 0
15 41 1 0
15 42 1 0
17 43 1 0
17 44 1 0
17 45 1 0
18 46 1 0
19 47 1 6
20 48 1 0
20 49 1 0
22 50 1 0
22 51 1 0
22 52 1 0
23 53 1 0
24 54 1 0
24 55 1 0
25 56 1 0
25 57 1 0
26 58 1 1
28 59 1 0
M END
3D SDF for NP0013930 (Neopestalotin A)
Mrv1652306242119513D
59 61 0 0 0 0 999 V2000
7.0940 -0.7083 0.4190 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7745 -0.9969 1.0286 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6368 -0.6824 0.4001 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6218 -0.0687 -0.8568 N 0 0 0 0 0 0 0 0 0 0 0 0
3.2459 0.0965 -1.1789 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8499 0.6327 -2.2712 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4369 -0.4255 -0.1004 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9897 -0.5078 0.0746 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5593 -1.0328 1.1722 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0717 -0.0615 -0.8493 C 0 0 2 0 0 0 0 0 0 0 0 0
0.1654 -0.7169 -2.1841 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0798 1.4522 -0.9031 C 0 0 2 0 0 0 0 0 0 0 0 0
0.4795 1.9604 0.3621 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1360 2.8000 1.1677 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5023 3.2689 2.4350 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4156 2.0102 -1.1933 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5162 3.4974 -1.4430 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5418 1.3390 -1.2793 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5692 -0.1140 -1.0839 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.8736 -0.6046 -0.4944 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.7207 -1.5493 0.6361 C 0 0 2 0 0 0 0 0 0 0 0 0
-5.0262 -2.3511 0.7435 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6462 -0.8264 1.8478 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6096 -2.5381 0.5531 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.4582 -2.0735 -0.3262 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.3949 -0.5746 -0.3016 C 0 0 1 0 0 0 0 0 0 0 0 0
3.2823 -0.8879 0.8369 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9431 -1.4902 2.0748 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9862 -0.7839 -0.7015 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4199 0.2969 0.7182 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8366 -1.4535 0.7767 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6614 -1.4742 2.0079 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4023 0.2308 -1.4789 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7201 -1.2563 -2.5914 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3325 0.1029 -2.9380 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0620 -1.3426 -2.1773 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5666 1.7669 -1.7327 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4815 1.6470 0.6986 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1079 3.1459 0.9150 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5056 2.8312 2.5607 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6386 4.3703 2.3479 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0943 3.0621 3.3231 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7184 3.6754 -2.5424 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4005 3.9358 -0.9365 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5710 4.0170 -1.2471 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4993 1.8290 -1.4982 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5356 -0.5981 -2.1078 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3890 0.3182 -0.0974 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5658 -1.0066 -1.2601 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9098 -3.2983 0.1556 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8646 -1.8017 0.2470 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2923 -2.5679 1.7798 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5596 -0.5607 2.0829 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9140 -3.5350 0.2169 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1899 -2.6710 1.5840 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7765 -2.3993 -1.3659 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5608 -2.5759 -0.0158 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4935 -0.2801 0.7733 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7478 -2.4710 2.1042 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
5 6 2 0 0 0 0
5 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
10 8 1 1 0 0 0
10 11 1 0 0 0 0
10 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
12 16 1 0 0 0 0
16 17 1 0 0 0 0
16 18 2 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
21 23 1 1 0 0 0
21 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
7 27 2 0 0 0 0
27 28 1 0 0 0 0
27 3 1 0 0 0 0
26 10 1 0 0 0 0
26 19 1 0 0 0 0
1 29 1 0 0 0 0
1 30 1 0 0 0 0
1 31 1 0 0 0 0
2 32 1 0 0 0 0
4 33 1 0 0 0 0
11 34 1 0 0 0 0
11 35 1 0 0 0 0
11 36 1 0 0 0 0
12 37 1 6 0 0 0
13 38 1 0 0 0 0
14 39 1 0 0 0 0
15 40 1 0 0 0 0
15 41 1 0 0 0 0
15 42 1 0 0 0 0
17 43 1 0 0 0 0
17 44 1 0 0 0 0
17 45 1 0 0 0 0
18 46 1 0 0 0 0
19 47 1 6 0 0 0
20 48 1 0 0 0 0
20 49 1 0 0 0 0
22 50 1 0 0 0 0
22 51 1 0 0 0 0
22 52 1 0 0 0 0
23 53 1 0 0 0 0
24 54 1 0 0 0 0
24 55 1 0 0 0 0
25 56 1 0 0 0 0
25 57 1 0 0 0 0
26 58 1 1 0 0 0
28 59 1 0 0 0 0
M END
> <DATABASE_ID>
NP0013930
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H]OC1=C(C(=O)[C@]2(C([H])([H])[H])[C@]([H])(C(\[H])=C(/[H])C([H])([H])[H])C(=C([H])[C@]3([H])C([H])([H])[C@@](O[H])(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]23[H])C([H])([H])[H])C(=O)N([H])\C1=C(\[H])C([H])([H])[H]
> <INCHI_IDENTIFIER>
InChI=1S/C23H31NO4/c1-6-8-15-13(3)11-14-12-22(4,28)10-9-16(14)23(15,5)20(26)18-19(25)17(7-2)24-21(18)27/h6-8,11,14-16,25,28H,9-10,12H2,1-5H3,(H,24,27)/b8-6+,17-7-/t14-,15-,16-,22-,23-/m1/s1
> <INCHI_KEY>
KGDKEXQNSMWPCR-FBBWCXSBSA-N
> <FORMULA>
C23H31NO4
> <MOLECULAR_WEIGHT>
385.504
> <EXACT_MASS>
385.225308482
> <JCHEM_ACCEPTOR_COUNT>
4
> <JCHEM_ATOM_COUNT>
59
> <JCHEM_AVERAGE_POLARIZABILITY>
43.71509440931486
> <JCHEM_BIOAVAILABILITY>
1
> <JCHEM_DONOR_COUNT>
3
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
1
> <JCHEM_IUPAC>
(5Z)-3-[(1S,2R,4aS,6R,8aR)-6-hydroxy-1,3,6-trimethyl-2-[(1E)-prop-1-en-1-yl]-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-5-ethylidene-4-hydroxy-2,5-dihydro-1H-pyrrol-2-one
> <ALOGPS_LOGP>
3.77
> <JCHEM_LOGP>
2.6854828456666655
> <ALOGPS_LOGS>
-4.08
> <JCHEM_MDDR_LIKE_RULE>
0
> <JCHEM_NUMBER_OF_RINGS>
3
> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1
> <JCHEM_PKA>
10.435025903246112
> <JCHEM_PKA_STRONGEST_ACIDIC>
6.028159335790694
> <JCHEM_PKA_STRONGEST_BASIC>
-0.9493898652492042
> <JCHEM_POLAR_SURFACE_AREA>
86.63000000000001
> <JCHEM_REFRACTIVITY>
113.92479999999996
> <JCHEM_ROTATABLE_BOND_COUNT>
3
> <JCHEM_RULE_OF_FIVE>
1
> <ALOGPS_SOLUBILITY>
3.22e-02 g/l
> <JCHEM_TRADITIONAL_IUPAC>
(5Z)-3-[(1S,2R,4aS,6R,8aR)-6-hydroxy-1,3,6-trimethyl-2-[(1E)-prop-1-en-1-yl]-2,4a,5,7,8,8a-hexahydronaphthalene-1-carbonyl]-5-ethylidene-4-hydroxy-1H-pyrrol-2-one
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0013930 (Neopestalotin A)
RDKit 3D
59 61 0 0 0 0 0 0 0 0999 V2000
7.0940 -0.7083 0.4190 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7745 -0.9969 1.0286 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6368 -0.6824 0.4001 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6218 -0.0687 -0.8568 N 0 0 0 0 0 0 0 0 0 0 0 0
3.2459 0.0965 -1.1789 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8499 0.6327 -2.2712 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4369 -0.4255 -0.1004 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9897 -0.5078 0.0746 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5593 -1.0328 1.1722 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0717 -0.0615 -0.8493 C 0 0 2 0 0 0 0 0 0 0 0 0
0.1654 -0.7169 -2.1841 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0798 1.4522 -0.9031 C 0 0 2 0 0 0 0 0 0 0 0 0
0.4795 1.9604 0.3621 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1360 2.8000 1.1677 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5023 3.2689 2.4350 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4156 2.0102 -1.1933 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5162 3.4974 -1.4430 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5418 1.3390 -1.2793 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5692 -0.1140 -1.0839 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.8736 -0.6046 -0.4944 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7207 -1.5493 0.6361 C 0 0 2 0 0 0 0 0 0 0 0 0
-5.0262 -2.3511 0.7435 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6462 -0.8264 1.8478 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6096 -2.5381 0.5531 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4582 -2.0735 -0.3262 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3949 -0.5746 -0.3016 C 0 0 1 0 0 0 0 0 0 0 0 0
3.2823 -0.8879 0.8369 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9431 -1.4902 2.0748 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9862 -0.7839 -0.7015 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4199 0.2969 0.7182 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8366 -1.4535 0.7767 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6614 -1.4742 2.0079 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4023 0.2308 -1.4789 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7201 -1.2563 -2.5914 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3325 0.1029 -2.9380 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0620 -1.3426 -2.1773 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5666 1.7669 -1.7327 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4815 1.6470 0.6986 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1079 3.1459 0.9150 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5056 2.8312 2.5607 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6386 4.3703 2.3479 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0943 3.0621 3.3231 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7184 3.6754 -2.5424 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4005 3.9358 -0.9365 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5710 4.0170 -1.2471 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4993 1.8290 -1.4982 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5356 -0.5981 -2.1078 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3890 0.3182 -0.0974 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5658 -1.0066 -1.2601 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9098 -3.2983 0.1556 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8646 -1.8017 0.2470 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2923 -2.5679 1.7798 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5596 -0.5607 2.0829 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9140 -3.5350 0.2169 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1899 -2.6710 1.5840 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7765 -2.3993 -1.3659 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5608 -2.5759 -0.0158 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4935 -0.2801 0.7733 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7478 -2.4710 2.1042 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
5 6 2 0
5 7 1 0
7 8 1 0
8 9 2 0
10 8 1 1
10 11 1 0
10 12 1 0
12 13 1 0
13 14 2 0
14 15 1 0
12 16 1 0
16 17 1 0
16 18 2 0
18 19 1 0
19 20 1 0
20 21 1 0
21 22 1 0
21 23 1 1
21 24 1 0
24 25 1 0
25 26 1 0
7 27 2 0
27 28 1 0
27 3 1 0
26 10 1 0
26 19 1 0
1 29 1 0
1 30 1 0
1 31 1 0
2 32 1 0
4 33 1 0
11 34 1 0
11 35 1 0
11 36 1 0
12 37 1 6
13 38 1 0
14 39 1 0
15 40 1 0
15 41 1 0
15 42 1 0
17 43 1 0
17 44 1 0
17 45 1 0
18 46 1 0
19 47 1 6
20 48 1 0
20 49 1 0
22 50 1 0
22 51 1 0
22 52 1 0
23 53 1 0
24 54 1 0
24 55 1 0
25 56 1 0
25 57 1 0
26 58 1 1
28 59 1 0
M END
PDB for NP0013930 (Neopestalotin A)HEADER PROTEIN 24-JUN-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 24-JUN-21 0 HETATM 1 C UNK 0 7.094 -0.708 0.419 0.00 0.00 C+0 HETATM 2 C UNK 0 5.774 -0.997 1.029 0.00 0.00 C+0 HETATM 3 C UNK 0 4.637 -0.682 0.400 0.00 0.00 C+0 HETATM 4 N UNK 0 4.622 -0.069 -0.857 0.00 0.00 N+0 HETATM 5 C UNK 0 3.246 0.097 -1.179 0.00 0.00 C+0 HETATM 6 O UNK 0 2.850 0.633 -2.271 0.00 0.00 O+0 HETATM 7 C UNK 0 2.437 -0.426 -0.100 0.00 0.00 C+0 HETATM 8 C UNK 0 0.990 -0.508 0.075 0.00 0.00 C+0 HETATM 9 O UNK 0 0.559 -1.033 1.172 0.00 0.00 O+0 HETATM 10 C UNK 0 -0.072 -0.062 -0.849 0.00 0.00 C+0 HETATM 11 C UNK 0 0.165 -0.717 -2.184 0.00 0.00 C+0 HETATM 12 C UNK 0 -0.080 1.452 -0.903 0.00 0.00 C+0 HETATM 13 C UNK 0 0.480 1.960 0.362 0.00 0.00 C+0 HETATM 14 C UNK 0 -0.136 2.800 1.168 0.00 0.00 C+0 HETATM 15 C UNK 0 0.502 3.269 2.435 0.00 0.00 C+0 HETATM 16 C UNK 0 -1.416 2.010 -1.193 0.00 0.00 C+0 HETATM 17 C UNK 0 -1.516 3.497 -1.443 0.00 0.00 C+0 HETATM 18 C UNK 0 -2.542 1.339 -1.279 0.00 0.00 C+0 HETATM 19 C UNK 0 -2.569 -0.114 -1.084 0.00 0.00 C+0 HETATM 20 C UNK 0 -3.874 -0.605 -0.494 0.00 0.00 C+0 HETATM 21 C UNK 0 -3.721 -1.549 0.636 0.00 0.00 C+0 HETATM 22 C UNK 0 -5.026 -2.351 0.744 0.00 0.00 C+0 HETATM 23 O UNK 0 -3.646 -0.826 1.848 0.00 0.00 O+0 HETATM 24 C UNK 0 -2.610 -2.538 0.553 0.00 0.00 C+0 HETATM 25 C UNK 0 -1.458 -2.074 -0.326 0.00 0.00 C+0 HETATM 26 C UNK 0 -1.395 -0.575 -0.302 0.00 0.00 C+0 HETATM 27 C UNK 0 3.282 -0.888 0.837 0.00 0.00 C+0 HETATM 28 O UNK 0 2.943 -1.490 2.075 0.00 0.00 O+0 HETATM 29 H UNK 0 6.986 -0.784 -0.702 0.00 0.00 H+0 HETATM 30 H UNK 0 7.420 0.297 0.718 0.00 0.00 H+0 HETATM 31 H UNK 0 7.837 -1.454 0.777 0.00 0.00 H+0 HETATM 32 H UNK 0 5.661 -1.474 2.008 0.00 0.00 H+0 HETATM 33 H UNK 0 5.402 0.231 -1.479 0.00 0.00 H+0 HETATM 34 H UNK 0 -0.720 -1.256 -2.591 0.00 0.00 H+0 HETATM 35 H UNK 0 0.333 0.103 -2.938 0.00 0.00 H+0 HETATM 36 H UNK 0 1.062 -1.343 -2.177 0.00 0.00 H+0 HETATM 37 H UNK 0 0.567 1.767 -1.733 0.00 0.00 H+0 HETATM 38 H UNK 0 1.482 1.647 0.699 0.00 0.00 H+0 HETATM 39 H UNK 0 -1.108 3.146 0.915 0.00 0.00 H+0 HETATM 40 H UNK 0 1.506 2.831 2.561 0.00 0.00 H+0 HETATM 41 H UNK 0 0.639 4.370 2.348 0.00 0.00 H+0 HETATM 42 H UNK 0 -0.094 3.062 3.323 0.00 0.00 H+0 HETATM 43 H UNK 0 -1.718 3.675 -2.542 0.00 0.00 H+0 HETATM 44 H UNK 0 -2.401 3.936 -0.937 0.00 0.00 H+0 HETATM 45 H UNK 0 -0.571 4.017 -1.247 0.00 0.00 H+0 HETATM 46 H UNK 0 -3.499 1.829 -1.498 0.00 0.00 H+0 HETATM 47 H UNK 0 -2.536 -0.598 -2.108 0.00 0.00 H+0 HETATM 48 H UNK 0 -4.389 0.318 -0.097 0.00 0.00 H+0 HETATM 49 H UNK 0 -4.566 -1.007 -1.260 0.00 0.00 H+0 HETATM 50 H UNK 0 -4.910 -3.298 0.156 0.00 0.00 H+0 HETATM 51 H UNK 0 -5.865 -1.802 0.247 0.00 0.00 H+0 HETATM 52 H UNK 0 -5.292 -2.568 1.780 0.00 0.00 H+0 HETATM 53 H UNK 0 -4.560 -0.561 2.083 0.00 0.00 H+0 HETATM 54 H UNK 0 -2.914 -3.535 0.217 0.00 0.00 H+0 HETATM 55 H UNK 0 -2.190 -2.671 1.584 0.00 0.00 H+0 HETATM 56 H UNK 0 -1.777 -2.399 -1.366 0.00 0.00 H+0 HETATM 57 H UNK 0 -0.561 -2.576 -0.016 0.00 0.00 H+0 HETATM 58 H UNK 0 -1.494 -0.280 0.773 0.00 0.00 H+0 HETATM 59 H UNK 0 2.748 -2.471 2.104 0.00 0.00 H+0 CONECT 1 2 29 30 31 CONECT 2 1 3 32 CONECT 3 2 4 27 CONECT 4 3 5 33 CONECT 5 4 6 7 CONECT 6 5 CONECT 7 5 8 27 CONECT 8 7 9 10 CONECT 9 8 CONECT 10 8 11 12 26 CONECT 11 10 34 35 36 CONECT 12 10 13 16 37 CONECT 13 12 14 38 CONECT 14 13 15 39 CONECT 15 14 40 41 42 CONECT 16 12 17 18 CONECT 17 16 43 44 45 CONECT 18 16 19 46 CONECT 19 18 20 26 47 CONECT 20 19 21 48 49 CONECT 21 20 22 23 24 CONECT 22 21 50 51 52 CONECT 23 21 53 CONECT 24 21 25 54 55 CONECT 25 24 26 56 57 CONECT 26 25 10 19 58 CONECT 27 7 28 3 CONECT 28 27 59 CONECT 29 1 CONECT 30 1 CONECT 31 1 CONECT 32 2 CONECT 33 4 CONECT 34 11 CONECT 35 11 CONECT 36 11 CONECT 37 12 CONECT 38 13 CONECT 39 14 CONECT 40 15 CONECT 41 15 CONECT 42 15 CONECT 43 17 CONECT 44 17 CONECT 45 17 CONECT 46 18 CONECT 47 19 CONECT 48 20 CONECT 49 20 CONECT 50 22 CONECT 51 22 CONECT 52 22 CONECT 53 23 CONECT 54 24 CONECT 55 24 CONECT 56 25 CONECT 57 25 CONECT 58 26 CONECT 59 28 MASTER 0 0 0 0 0 0 0 0 59 0 122 0 END SMILES for NP0013930 (Neopestalotin A)[H]OC1=C(C(=O)[C@]2(C([H])([H])[H])[C@]([H])(C(\[H])=C(/[H])C([H])([H])[H])C(=C([H])[C@]3([H])C([H])([H])[C@@](O[H])(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]23[H])C([H])([H])[H])C(=O)N([H])\C1=C(\[H])C([H])([H])[H] INCHI for NP0013930 (Neopestalotin A)InChI=1S/C23H31NO4/c1-6-8-15-13(3)11-14-12-22(4,28)10-9-16(14)23(15,5)20(26)18-19(25)17(7-2)24-21(18)27/h6-8,11,14-16,25,28H,9-10,12H2,1-5H3,(H,24,27)/b8-6+,17-7-/t14-,15-,16-,22-,23-/m1/s1 3D Structure for NP0013930 (Neopestalotin A) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Formula | C23H31NO4 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 385.5040 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 385.22531 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | (5Z)-3-[(1S,2R,4aS,6R,8aR)-6-hydroxy-1,3,6-trimethyl-2-[(1E)-prop-1-en-1-yl]-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-5-ethylidene-4-hydroxy-2,5-dihydro-1H-pyrrol-2-one | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | (5Z)-3-[(1S,2R,4aS,6R,8aR)-6-hydroxy-1,3,6-trimethyl-2-[(1E)-prop-1-en-1-yl]-2,4a,5,7,8,8a-hexahydronaphthalene-1-carbonyl]-5-ethylidene-4-hydroxy-1H-pyrrol-2-one | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | C\C=C\[C@@H]1C(C)=C[C@@H]2C[C@](C)(O)CC[C@H]2[C@]1(C)C(=O)C1=C(O)\C(NC1=O)=C\C | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C23H31NO4/c1-6-8-15-13(3)11-14-12-22(4,28)10-9-16(14)23(15,5)20(26)18-19(25)17(7-2)24-21(18)27/h6-8,11,14-16,25,28H,9-10,12H2,1-5H3,(H,24,27)/b8-6+,17-7-/t14-,15-,16-,22-,23-/m1/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | KGDKEXQNSMWPCR-FBBWCXSBSA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Chemical Shift Submissions | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species of Origin |
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| Chemical Taxonomy | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Classification | Not classified | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Physical Properties | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| State | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Properties |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Properties |
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| External Links | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NPAtlas ID | NPA013609 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemspider ID | 78442069 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PubChem Compound | 139586863 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
