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CHEBI:197851 - Quercinic acid C
| Formula | C31H50O5 |
| Net Charge | 0 |
| Average Mass | 502.736 |
| Monoisotopic Mass | 502.36582 |
| SMILES | CC(C(=O)O)[C@@H](C)C(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(C[C@@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 |
| InChI | InChI=1S/C31H50O5/c1-17(15-23(32)18(2)19(3)27(35)36)20-11-14-30(7)21-9-10-24-28(4,5)25(33)12-13-29(24,6)22(21)16-26(34)31(20,30)8/h17-20,24-26,33-34H,9-16H2,1-8H3,(H,35,36)/t17-,18-,19?,20-,24+,25+,26-,29-,30+,31+/m1/s1 |
| InChIKey | UREYGWKJWUPQSC-YBOLZYJCSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Daedalea quercina (ncbitaxon:40437) | - | DOI (10.1016/s0031-9422(00)00130-8) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Quercinic acid C (CHEBI:197851) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| (3R,6R)-6-[(3S,5R,10S,12R,13R,14S,17R)-3,12-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2,3-dimethyl-4-oxoheptanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 78439567 | ChemSpider |