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CHEBI:172132 - trans-3-Feruloylcorosolic acid
| Formula | C40H56O7 |
| Net Charge | 0 |
| Average Mass | 648.881 |
| Monoisotopic Mass | 648.40260 |
| SMILES | COc1cc(/C=C/C(=O)OC2CC3(C)C(CCC4(C)C3CC=C3C5C(C)C(C)CCC5(C(=O)O)CCC34C)C(C)(C)C2O)ccc1O |
| InChI | InChI=1S/C40H56O7/c1-23-15-18-40(35(44)45)20-19-38(6)26(33(40)24(23)2)11-13-31-37(5)22-29(34(43)36(3,4)30(37)16-17-39(31,38)7)47-32(42)14-10-25-9-12-27(41)28(21-25)46-8/h9-12,14,21,23-24,29-31,33-34,41,43H,13,15-20,22H2,1-8H3,(H,44,45)/b14-10+ |
| InChIKey | QVWRWMJXTWVRCW-GXDHUFHOSA-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) |
| trans-3-Feruloylcorosolic acid (CHEBI:172132) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| 10-hydroxy-11-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid |
| Manual Xrefs | Databases |
|---|---|
| 35014950 | ChemSpider |
| HMDB0040496 | HMDB |