Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA013738
PROPERTIES
| NPAID | NPA013738 |
|---|---|
| CLUSTER ID | 1360 |
| NODE ID | 1143 |
| NAME | Yanuthone D |
| FORMULA | C28H38O8 |
| MOLECULAR WEIGHT (Da) | 502.6040 |
| ACCURATE MASS (Da) | 502.2567 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | niger |
| InChIKey | NIBXHVDVUJEQPO-OFWAVEGMSA-N |
| InChI | InChI=1S/C28H38O8/c1-18(2)8-6-9-19(3)10-7-11-20(4)12-13-28-22(29)14-21(25(33)26(28)36-28)17-35-24(32)16-27(5,34)15-23(30)31/h8,10,12,14,26,34H,6-7,9,11,13,15-17H2,1-5H3,(H,30,31)/b19-10+,20-12+/t26-,27?,28?/m1/s1 |
| SMILES | CC(=CCC/C(=C/CC/C(=C/CC12[C@H](O1)C(=O)C(=CC2=O)COC(=O)CC(C)(CC(=O)O)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 |
