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CHEBI:191672 - (ent-16betaOH)-16,17-Dihydroxy-9(11)-kauren-19-oic acid
| Formula | C20H30O4 |
| Net Charge | 0 |
| Average Mass | 334.456 |
| Monoisotopic Mass | 334.21441 |
| SMILES | CC1(C(=O)O)CCCC2(C)C3=CCC4CC3(CCC12)CC4(O)CO |
| InChI | InChI=1S/C20H30O4/c1-17-7-3-8-18(2,16(22)23)14(17)6-9-19-10-13(4-5-15(17)19)20(24,11-19)12-21/h5,13-14,21,24H,3-4,6-12H2,1-2H3,(H,22,23) |
| InChIKey | QSJIZGQGHYROGD-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) |
| (ent-16betaOH)-16,17-Dihydroxy-9(11)-kauren-19-oic acid (CHEBI:191672) is a kaurane diterpenoid (CHEBI:53666) |
| IUPAC Name |
|---|
| 14-hydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadec-10-ene-5-carboxylic acid |
| Manual Xrefs | Databases |
|---|---|
| HMDB0036760 | HMDB |
| 35014237 | ChemSpider |