EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:169687 - ethyl 3-(4-methoxyphenyl)oxirane-2-carboxylate

ChEBI IDCHEBI:169687
ChEBI Nameethyl 3-(4-methoxyphenyl)oxirane-2-carboxylate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H14O4
Net Charge0
Average Mass222.240
Monoisotopic Mass222.08921
SMILESCCOC(=O)C1OC1c1ccc(OC)cc1
InChIInChI=1S/C12H14O4/c1-3-15-12(13)11-10(16-11)8-4-6-9(14-2)7-5-8/h4-7,10-11H,3H2,1-2H3
InChIKeyVLSGACWGKWLNCR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
ethyl 3-(4-methoxyphenyl)oxirane-2-carboxylate (CHEBI:169687) is a methoxybenzenes (CHEBI:51683)
IUPAC Name 
ethyl 3-(4-methoxyphenyl)oxirane-2-carboxylate
Manual XrefsDatabases
HMDB0131284HMDB
77606ChemSpider
Registry NumbersSources
CAS:16546-01-3ChemIDplus