Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA017967
PROPERTIES
| NPAID | NPA017967 |
|---|---|
| CLUSTER ID | 908 |
| NODE ID | 787 |
| NAME | Nodulisporic acid C2 |
| FORMULA | C43H59NO7 |
| MOLECULAR WEIGHT (Da) | 701.9450 |
| ACCURATE MASS (Da) | 701.4292 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Nodulisporium |
| ORIGIN SPECIES | sp. MF5954 |
| InChIKey | RJBBYXNTYMCJHA-UEWKXTELSA-N |
| InChI | InChI=1S/C43H59NO7/c1-21(2)11-13-24-31-25(28-19-38(4,5)51-39(6,7)32(28)35(31)46)18-26-27-17-23-12-14-30-40(8,42(23,10)36(27)44-33(24)26)15-16-43(49)41(30,9)20-29(50-43)34(45)22(3)37(47)48/h11,18-19,22-23,29-30,32,34-35,44-46,49H,12-17,20H2,1-10H3,(H,47,48)/t22?,23-,29-,30+,32+,34?,35+,40-,41-,42+,43-/m0/s1 |
| SMILES | CC(C([C@@H]1C[C@]2([C@@H]3CC[C@H]4CC5=C([C@@]4([C@]3(CC[C@@]2(O1)O)C)C)NC6=C(C7=C(C=C56)C8=CC(OC([C@H]8[C@@H]7O)(C)C)(C)C)CC=C(C)C)C)O)C(=O)O |
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 |
