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CHEBI:191775 - Madasiatic acid
| Formula | C30H48O5 |
| Net Charge | 0 |
| Average Mass | 488.709 |
| Monoisotopic Mass | 488.35017 |
| SMILES | CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C)C5C(O)CC43C)C2C1C |
| InChI | InChI=1S/C30H48O5/c1-16-10-11-30(25(34)35)13-12-28(6)18(22(30)17(16)2)8-9-21-27(5)14-20(32)24(33)26(3,4)23(27)19(31)15-29(21,28)7/h8,16-17,19-24,31-33H,9-15H2,1-7H3,(H,34,35) |
| InChIKey | WRACWYWAPQQRKC-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Ulmus parvifolia (ncbitaxon:63058) | |||
| seed (BTO:0001226) | MetaboLights (MTBLS4572) | ||
| bark (BTO:0001301) | MetaboLights (MTBLS4572) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Madasiatic acid (CHEBI:191775) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| 8,10,11-trihydroxy-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 |
|---|---|
| 16161196 | ChemSpider |
| HMDB0035118 | HMDB |