(ent-6alpha,7alpha,12alpha)-6,7,12-Trihydroxy-16-kauren-19-oic acid (CHEBI:175482)

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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-6alpha,7alpha,12alpha)-6,7,12-Trihydroxy-16-kauren-19-oic acid

ChEBI ID	CHEBI:175482

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C20H30O5

Net Charge

Average Mass

350.455

Monoisotopic Mass

350.20932

InChI

InChI=1S/C20H30O5/c1-10-8-20-9-11(10)12(21)7-13(20)18(2)5-4-6-19(3,17(24)25)15(18)14(22)16(20)23/h11-16,21-23H,1,4-9H2,2-3H3,(H,24,25)

InChIKey

GDUDOACZUAVXMK-UHFFFAOYSA-N

SMILES

OC1C23C(C4(C(C1O)C(CCC4)(C)C(O)=O)C)CC(O)C(C2)C(C3)=C

ChEBI Ontology
Outgoing	(ent-6alpha,7alpha,12alpha)-6,7,12-Trihydroxy-16-kauren-19-oic acid (CHEBI:175482) is a kaurane diterpenoid (CHEBI:53666)

IUPAC Name

2,3,12-trihydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid