Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA002552
PROPERTIES
NPAID | NPA002552 |
---|---|
CLUSTER ID | 1512 |
NODE ID | 1245 |
NAME | Comnostin D |
FORMULA | C29H44O5 |
MOLECULAR WEIGHT (Da) | 472.6660 |
ACCURATE MASS (Da) | 472.3189 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Nostoc |
ORIGIN SPECIES | commune |
InChIKey | NGZCNRIYOUJSLA-SKPIEEQRSA-N |
InChI | InChI=1S/C29H44O5/c1-18-10-13-26(2)22(27(18,3)17-20-16-19(24(31)32)8-9-21(20)30)11-14-28(4)23(26)12-15-29(28,5)25(33-6)34-7/h8-9,16,18,22-23,25,30H,10-15,17H2,1-7H3,(H,31,32)/t18-,22?,23?,26+,27-,28-,29+/m1/s1 |
SMILES | C[C@@H]1CC[C@@]2(C3CC[C@@]([C@@]3(CCC2[C@]1(C)CC4=C(C=CC(=C4)C(=O)O)O)C)(C)C(OC)OC)C |
ORIGINAL ISOLATION REFERENCE
CITATION | Jaki; Orjala; Heilmann; Linden; Vogler; Sticher Novel extracellular diterpenoids with biological activity from the cyanobacterium Nostoc commune Journal of Natural Products 2000 63 (3) 339-343. | ||
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DOI | 10.1021/np9903090 | PMID | 10757714 |