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

ChEBI IDCHEBI:189899
ChEBI Name3-(4-Methylphenyl)oxiranecarboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H10O3
Net Charge0
Average Mass178.187
Monoisotopic Mass178.06299
SMILESCc1ccc(C2OC2C(=O)O)cc1
InChIInChI=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)
InChIKeyKYFKCKUXXZSOTF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
marine plankton environmental sample (ncbitaxon:632957) endometabolome MetaboLights (MTBLS3038)
ChEBI Ontology
Outgoing Relation(s)
3-(4-Methylphenyl)oxiranecarboxylic acid (CHEBI:189899) is a toluenes (CHEBI:27024)
IUPAC Name 
3-(4-methylphenyl)oxirane-2-carboxylic acid
Manual XrefsDatabases
HMDB0030903HMDB
13630303ChemSpider