Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA009739
PROPERTIES
| NPAID | NPA009739 |
|---|---|
| CLUSTER ID | 231 |
| NODE ID | 215 |
| NAME | Mangicol C |
| FORMULA | C25H40O4 |
| MOLECULAR WEIGHT (Da) | 404.5910 |
| ACCURATE MASS (Da) | 404.2927 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Fusarium |
| ORIGIN SPECIES | heterosporum |
| InChIKey | IDMQOGKKDALVSS-DPCGLICRSA-N |
| InChI | InChI=1S/C25H40O4/c1-14-11-19(27)25-15(2)7-8-16(25)20-23(5,12-17(14)25)9-10-24(20,6)13-18(26)21(28)22(3,4)29/h12,14-16,18-20,26-27,29H,7-11,13H2,1-6H3/t14-,15-,16-,18-,19+,20-,23+,24+,25+/m0/s1 |
| SMILES | C[C@H]1CC[C@@H]2[C@]13[C@@H](C[C@@H](C3=C[C@@]4([C@H]2[C@@](CC4)(C)C[C@@H](C(=O)C(C)(C)O)O)C)C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Renner, Matthew K.; Jensen, Paul R.; Fenical, William Mangicols: Structures and biosynthesis of a new class of sesterterpene polyols from a marine fungus of the genus Fusarium Journal of Organic Chemistry 2000 65 (16) 4843-4852. | ||
|---|---|---|---|
| DOI | 10.1021/jo000081h | PMID | 10956462 |
