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CHEBI:168172 - 16beta-16-Hydroxy-3-oxo-1,12-oleanadien-28-oic acid
| Formula | C30H44O4 |
| Net Charge | 0 |
| Average Mass | 468.678 |
| Monoisotopic Mass | 468.32396 |
| SMILES | CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)C=CC(=O)C(C)(C)C5CCC43C)C2C1 |
| InChI | InChI=1S/C30H44O4/c1-25(2)14-15-30(24(33)34)19(16-25)18-8-9-21-27(5)12-11-22(31)26(3,4)20(27)10-13-28(21,6)29(18,7)17-23(30)32/h8,11-12,19-21,23,32H,9-10,13-17H2,1-7H3,(H,33,34) |
| InChIKey | DFSIQVYXMRYQGI-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Malus domestica (ncbitaxon:3750) | exocarp (BTO:0000733) | MetaboLights (MTBLS2384) | Strain: Malus x domestica Borkh. cv. Ruixue |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 16beta-16-Hydroxy-3-oxo-1,12-oleanadien-28-oic acid (CHEBI:168172) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| 5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,13,14b-decahydro-1H-picene-4a-carboxylic acid |
| Manual Xrefs | Databases |
|---|---|
| 35015009 | ChemSpider |
| HMDB0040711 | HMDB |