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

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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 ethyl 3-(4-methoxyphenyl)oxirane-2-carboxylate
ChEBI ID CHEBI:169687
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C12H14O4
Net Charge 0
Average Mass 222.240
Monoisotopic Mass 222.08921
InChI InChI=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
InChIKey VLSGACWGKWLNCR-UHFFFAOYSA-N
SMILES O1C(C1C(OCC)=O)C2=CC=C(OC)C=C2
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing ethyl 3-(4-methoxyphenyl)oxirane-2-carboxylate (CHEBI:169687) is a methoxybenzenes (CHEBI:51683)
IUPAC Name
ethyl 3-(4-methoxyphenyl)oxirane-2-carboxylate
Manual Xrefs Databases
77606 ChemSpider
HMDB0131284 HMDB
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Registry Number Type Source
16546-01-3 CAS Registry Number ChemIDplus