Compounds
ID | Spectrum Quality | Annotated Name |
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COMPOUND NPA014714
PROPERTIES
NPAID | NPA014714 |
---|---|
CLUSTER ID | 908 |
NODE ID | 787 |
NAME | Nodulisporic acid D2 |
FORMULA | C38H51NO6 |
MOLECULAR WEIGHT (Da) | 617.8270 |
ACCURATE MASS (Da) | 617.3716 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Nodulisporium |
ORIGIN SPECIES | sp. |
InChIKey | BVXANUMPSJDELO-WOYQAOQOSA-N |
InChI | InChI=1S/C38H51NO6/c1-19(32(41)42)30(40)28-18-36(7)29-10-9-21-15-24-23-16-22-20(13-26-25(22)17-33(2,3)45-34(26,4)5)14-27(23)39-31(24)37(21,8)35(29,6)11-12-38(36,43)44-28/h14,16-17,19,21,26,28-30,39-40,43H,9-13,15,18H2,1-8H3,(H,41,42)/t19-,21-,26-,28-,29+,30+,35-,36-,37+,38-/m0/s1 |
SMILES | C[C@@H]([C@H]([C@@H]1C[C@]2([C@@H]3CC[C@H]4CC5=C([C@@]4([C@]3(CC[C@@]2(O1)O)C)C)NC6=CC7=C(C=C56)C8=CC(OC([C@H]8C7)(C)C)(C)C)C)O)C(=O)O |
ORIGINAL ISOLATION REFERENCE
CITATION | Singh, Sheo B; Ondeyka, John G; Jayasuriya, Hiranthi; Zink, Deborah L; Ha, Sookhee N; Dahl-Roshak, Arlene; Greene, Joyce; Kim, Jennifer A; Smith, McHardy M; Shoop, Wesley; Tkacz, Jan S Nodulisporic acids D-F: structure, biological activities, and biogenetic relationships Journal of Natural Products 2004 67 (9) 1496-1506. | ||
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DOI | 10.1021/np0498455 | PMID | 15387649 |