1-Cyclohexene-1-acrylic acid, 2,6,6-trimethyl-3-oxo- (CHEBI:193412)

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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	1-Cyclohexene-1-acrylic acid, 2,6,6-trimethyl-3-oxo-

ChEBI ID	CHEBI:193412

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C12H16O3

Net Charge

Average Mass

208.257

Monoisotopic Mass

208.10994

InChI

InChI=1S/C12H16O3/c1-8-9(4-5-11(14)15)12(2,3)7-6-10(8)13/h4-5H,6-7H2,1-3H3,(H,14,15)

InChIKey

ZYMHWNZSGHDLBN-UHFFFAOYSA-N

SMILES

O=C1CCC(C(=C1C)C=CC(O)=O)(C)C

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

ChEBI Ontology
Outgoing	1-Cyclohexene-1-acrylic acid, 2,6,6-trimethyl-3-oxo- (CHEBI:193412) is a cyclohexenones (CHEBI:48953)

IUPAC Name

3-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)prop-2-enoic acid