(ent-16betaOH)-16,17-Dihydroxy-9(11)-kauren-19-oic acid (CHEBI:191672)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	(ent-16betaOH)-16,17-Dihydroxy-9(11)-kauren-19-oic acid

ChEBI ID	CHEBI:191672

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C20H30O4

Net Charge

Average Mass

334.456

Monoisotopic Mass

334.21441

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

SMILES

OC1(C2CC3(C(C4(C(CC3)C(CCC4)(C)C(O)=O)C)=CC2)C1)CO

Metabolite of Species	Details
Ulmus parvifolia (NCBI:txid63058)	Found in bark (BTO:0001301). See: MetaboLights Study
Ulmus parvifolia (NCBI:txid63058)	Found in seed (BTO:0001226). See: MetaboLights Study

ChEBI Ontology
Outgoing	(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