3-(4-Methylphenyl)oxiranecarboxylic acid (CHEBI:189899)

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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	3-(4-Methylphenyl)oxiranecarboxylic acid

ChEBI ID	CHEBI:189899

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

Submitter	MetaboLights

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Download	Molfile XML SDF

Formula

C10H10O3

Net Charge

Average Mass

178.187

Monoisotopic Mass

178.06299

InChI

InChI=1S/C10H10O3/c1-6-2-4-7(5-3-6)8-9(13-8)10(11)12/h2-5,8-9H,1H3,(H,11,12)

InChIKey

KYFKCKUXXZSOTF-UHFFFAOYSA-N

SMILES

O1C(C1C(O)=O)C2=CC=C(C=C2)C

Metabolite of Species	Details
marine plankton environmental sample (NCBI:txid632957)	Found in endometabolome See: MetaboLights Study

ChEBI Ontology
Outgoing	3-(4-Methylphenyl)oxiranecarboxylic acid (CHEBI:189899) is a toluenes (CHEBI:27024)

IUPAC Name

3-(4-methylphenyl)oxirane-2-carboxylic acid