Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA012409
PROPERTIES
| NPAID | NPA012409 |
|---|---|
| CLUSTER ID | 1359 |
| NODE ID | 1142 |
| NAME | Yanuthone E |
| FORMULA | C29H42O7 |
| MOLECULAR WEIGHT (Da) | 502.6480 |
| ACCURATE MASS (Da) | 502.2931 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | niger |
| InChIKey | MNXQOIADDWQXHH-FYRVNETASA-N |
| InChI | InChI=1S/C29H42O7/c1-19(2)9-7-10-20(3)11-8-12-21(4)13-14-29-24(31)15-23(26(33)27(29)36-29)18-35-25(32)17-28(6,34)16-22(5)30/h9,11,13,15,26-27,33-34H,7-8,10,12,14,16-18H2,1-6H3/b20-11+,21-13+/t26-,27-,28?,29?/m1/s1 |
| SMILES | CC(=CCC/C(=C/CC/C(=C/CC12[C@H](O1)[C@@H](C(=CC2=O)COC(=O)CC(C)(CC(=O)C)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 |
