Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA016199
PROPERTIES
| NPAID | NPA016199 |
|---|---|
| CLUSTER ID | 908 |
| NODE ID | 787 |
| NAME | Nodulisporic acid C1 |
| FORMULA | C43H57NO6 |
| MOLECULAR WEIGHT (Da) | 683.9300 |
| ACCURATE MASS (Da) | 683.4186 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Nodulisporium |
| ORIGIN SPECIES | sp. MF5954 |
| InChIKey | MCGZCRGDIAILMI-RPELRLKOSA-N |
| InChI | InChI=1S/C43H57NO6/c1-22(2)11-13-26-32-27(30-21-38(4,5)50-39(6,7)33(30)35(32)45)19-28-29-18-24-12-14-31-40(8,42(24,10)36(29)44-34(26)28)15-16-43(48)41(31,9)20-25(49-43)17-23(3)37(46)47/h11,17,19,21,24-25,31,33,35,44-45,48H,12-16,18,20H2,1-10H3,(H,46,47)/b23-17+/t24-,25+,31+,33+,35+,40-,41-,42+,43-/m0/s1 |
| SMILES | CC(=CCC1=C2C(=CC3=C1[C@H]([C@H]4C3=CC(OC4(C)C)(C)C)O)C5=C(N2)[C@]6([C@H](C5)CC[C@@H]7[C@@]6(CC[C@]8([C@]7(C[C@H](O8)/C=C(\C)/C(=O)O)C)O)C)C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Ondeyka, John G.; Byrne, Kevin; Vesey, Diane; Zink, Deborah L.; Shoop, Wesley L.; Goetz, Michael A.; Singh, Sheo B. Nodulisporic acids C, C1, and C2: A series of D-ring-opened nodulisporic acids from the fungus Nodulisporium sp Journal of Natural Products 2003 66 (1) 121-124. | ||
|---|---|---|---|
| DOI | 10.1021/np020339u | PMID | 12542359 |
