8alpha-8-Hydroxy-12-oxo-13-abieten-18-oic acid (CHEBI:230000)

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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	8alpha-8-Hydroxy-12-oxo-13-abieten-18-oic acid

ChEBI ID	CHEBI:230000

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

InChIKey

BDGVLOCEQIJJDJ-UHFFFAOYSA-N

SMILES

OC12C(C3(C(C(CCC3)(C)C(O)=O)CC1)C)CC(=O)C(=C2)C(C)C

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in feces (BTO:0000440). See: MetaboLights Study

ChEBI Ontology
Outgoing	8alpha-8-Hydroxy-12-oxo-13-abieten-18-oic acid (CHEBI:230000) is a diterpenoid (CHEBI:23849)

IUPAC Name

8a-hydroxy-1,4a-dimethyl-6-oxo-7-propan-2-yl-2,3,4,4b,5,9,10,10a-octahydrophenanthrene-1-carboxylic acid