Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA010347
PROPERTIES
| NPAID | NPA010347 |
|---|---|
| CLUSTER ID | 1359 |
| NODE ID | 1142 |
| NAME | Yanuthone A |
| FORMULA | C24H34O5 |
| MOLECULAR WEIGHT (Da) | 402.5310 |
| ACCURATE MASS (Da) | 402.2406 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | niger |
| InChIKey | RENHHCMPSDDNOZ-XDLWMWEFSA-N |
| InChI | InChI=1S/C24H34O5/c1-16(2)8-6-9-17(3)10-7-11-18(4)12-13-24-21(26)14-20(15-28-19(5)25)22(27)23(24)29-24/h8,10,12,14,22-23,27H,6-7,9,11,13,15H2,1-5H3/b17-10+,18-12+/t22-,23-,24?/m1/s1 |
| SMILES | CC(=CCC/C(=C/CC/C(=C/CC12[C@H](O1)[C@@H](C(=CC2=O)COC(=O)C)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 |
