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CHEBI:210565 - 3-deacetylated andrastin A
| Formula | C26H36O6 |
| Net Charge | 0 |
| Average Mass | 444.568 |
| Monoisotopic Mass | 444.25119 |
| SMILES | COC(=O)[C@@]12C(=O)C(C)=C(O)[C@]1(C)C(C)=C[C@H]1[C@]3(C=O)CC[C@H](O)C(C)(C)[C@H]3CC[C@@]12C |
| InChI | InChI=1S/C26H36O6/c1-14-12-17-23(5,10-8-16-22(3,4)18(28)9-11-25(16,17)13-27)26(21(31)32-7)20(30)15(2)19(29)24(14,26)6/h12-13,16-18,28-29H,8-11H2,1-7H3/t16-,17-,18+,23+,24+,25+,26-/m1/s1 |
| InChIKey | KEWOZYPKHHIKQF-SQCGRQCHSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Penicillium (ncbitaxon:5073) | - | PubMed (30605783) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-deacetylated andrastin A (CHEBI:210565) is a 19-oxo steroid (CHEBI:38149) |
| IUPAC Name |
|---|
| methyl (3S,5R,8S,9R,10S,13R,14R)-10-ormyl-3,17-dihydroxy-4,4,8,12,13,16-hexamethyl-15-oxo-2,3,5,6,7,9-hexahydro-1H-cyclopenta[a]phenanthrene-14-carboxylate |