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CHEBI:198761 - 6alpha-Hydroxypolyporenic acid C
| Formula | C31H46O5 |
| Net Charge | 0 |
| Average Mass | 498.704 |
| Monoisotopic Mass | 498.33452 |
| SMILES | C=C(CC[C@@H](C(=O)O)[C@H]1[C@H](O)C[C@@]2(C)C3=C[C@H](O)[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C)C(C)C |
| InChI | InChI=1S/C31H46O5/c1-17(2)18(3)9-10-19(27(35)36)25-23(33)16-31(8)21-15-22(32)26-28(4,5)24(34)12-13-29(26,6)20(21)11-14-30(25,31)7/h11,15,17,19,22-23,25-26,32-33H,3,9-10,12-14,16H2,1-2,4-8H3,(H,35,36)/t19-,22+,23-,25+,26+,29-,30-,31+/m1/s1 |
| InChIKey | NRSIOSASQDHZSI-OTNSLKBZSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Trametes (ncbitaxon:5324) | - | DOI (10.1039/c29690001150) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 6alpha-Hydroxypolyporenic acid C (CHEBI:198761) is a cholanoid (CHEBI:36078) |
| IUPAC Name |
|---|
| (2R)-2-[(5R,6S,10S,13R,14R,16R,17R)-6,16-dihydroxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 57256983 | ChemSpider |