ent-8(17),13(16),14-Labdatrien-18-oic acid (CHEBI:170102)

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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-8(17),13(16),14-Labdatrien-18-oic acid

ChEBI ID	CHEBI:170102

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C20H30O2

Net Charge

Average Mass

302.458

Monoisotopic Mass

302.22458

InChI

InChI=1S/C20H30O2/c1-6-14(2)8-10-16-15(3)9-11-17-19(16,4)12-7-13-20(17,5)18(21)22/h6,16-17H,1-3,7-13H2,4-5H3,(H,21,22)

InChIKey

JEGUVXRNDRXUDN-UHFFFAOYSA-N

SMILES

OC(=O)C1(C2C(C(C(CC2)=C)CCC(C=C)=C)(CCC1)C)C

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Found in Hepa-RG cell (BTO:0005736). of strain C57BL/6J [EFO:0000606] See: MetaboLights Study
Homo sapiens (NCBI:txid9606)	Found in HeLa cell (BTO:0000567). See: MetaboLights Study
Homo sapiens (NCBI:txid9606)	Found in HeLa cell;NIH-3T3 cell (BTO:0000944). See: MetaboLights Study
Homo sapiens (NCBI:txid9606)	Found in NIH-3T3 cell (BTO:0000944). See: MetaboLights Study
Homo sapiens (NCBI:txid9606)	Found in Hepa-RG cell (BTO:0005736). See: MetaboLights Study

ChEBI Ontology
Outgoing	ent-8(17),13(16),14-Labdatrien-18-oic acid (CHEBI:170102) is a diterpenoid (CHEBI:23849)

IUPAC Name

1,4a-dimethyl-6-methylidene-5-(3-methylidenepent-4-enyl)-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid