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CHEBI:172027 - Isomasticadienonic acid
| Formula | C30H46O3 |
| Net Charge | 0 |
| Average Mass | 454.695 |
| Monoisotopic Mass | 454.34470 |
| SMILES | C/C(=C\CCC(C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3)C(=O)O |
| InChI | InChI=1S/C30H46O3/c1-19(9-8-10-20(2)26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h10,19,21,24H,8-9,11-18H2,1-7H3,(H,32,33)/b20-10+ |
| InChIKey | KDCSSVADTHDYGI-KEBDBYFISA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| Pooled sample (NCIT:C45910) | MetaboLights (MTBLS2128) | ||
| blood plasma (BTO:0000131) | MetaboLights (MTBLS2128) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Isomasticadienonic acid (CHEBI:172027) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| (E)-2-methyl-6-(4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)hept-2-enoic acid |
| Manual Xrefs | Databases |
|---|---|
| HMDB0035247 | HMDB |