46-Dimethylcurvulinic acid (CHEBI:181005)

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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	46-Dimethylcurvulinic acid

ChEBI ID	CHEBI:181005

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

Submitter	MetaboLights

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Download	Molfile XML SDF

Formula

C12H14O5

Net Charge

Average Mass

238.239

Monoisotopic Mass

238.08412

InChI

InChI=1S/C12H14O5/c1-5-8(4-9(14)15)10(7(3)13)12(17)6(2)11(5)16/h16-17H,4H2,1-3H3,(H,14,15)

InChIKey

OWTQYBKDLMPBEH-UHFFFAOYSA-N

SMILES

OC=1C(=C(C(=C(O)C1C)C(=O)C)CC(O)=O)C

ChEBI Ontology
Outgoing	46-Dimethylcurvulinic acid (CHEBI:181005) is a aromatic ketone (CHEBI:76224)

IUPAC Name

2-(2-acetyl-3,5-dihydroxy-4,6-dimethylphenyl)acetic acid