Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA015963
PROPERTIES
| NPAID | NPA015963 |
|---|---|
| CLUSTER ID | 1359 |
| NODE ID | 1142 |
| NAME | 22-Deacetylyanuthone A |
| FORMULA | C22H32O4 |
| MOLECULAR WEIGHT (Da) | 360.4940 |
| ACCURATE MASS (Da) | 360.2301 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | niger |
| InChIKey | NXKIAZOEVGWPKT-UXNGKKSFSA-N |
| InChI | InChI=1S/C22H32O4/c1-15(2)7-5-8-16(3)9-6-10-17(4)11-12-22-19(24)13-18(14-23)20(25)21(22)26-22/h7,9,11,13,20-21,23,25H,5-6,8,10,12,14H2,1-4H3/b16-9+,17-11+/t20-,21-,22+/m1/s1 |
| SMILES | CC(=CCC/C(=C/CC/C(=C/C[C@]12[C@H](O1)[C@@H](C(=CC2=O)CO)O)/C)/C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Bugni, Tim S.; Abbanat, Darren; Bernan, Valerie S.; Maiese, William M.; Greenstein, Michael; Wagoner, Ryan M. Van; Ireland, Chris M. Yanuthones: Novel Metabolites from a Marine Isolate of Aspergillus niger Journal of Organic Chemistry 2000 65 (21) 7195-7200. | ||
|---|---|---|---|
| DOI | 10.1021/jo0006831 | PMID | 11031048 |
