CHEBI:174698 - Isoeugenol phenylacetate

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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 Isoeugenol phenylacetate
ChEBI ID CHEBI:174698
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H18O3
Net Charge 0
Average Mass 282.339
Monoisotopic Mass 282.12559
InChI InChI=1S/C18H18O3/c1-3-7-14-10-11-16(17(12-14)20-2)21-18(19)13-15-8-5-4-6-9-15/h3-12H,13H2,1-2H3/b7-3-
InChIKey YYLCMLYMJHKLEJ-CLTKARDFSA-N
SMILES O(C1=C(OC)C=C(C=C1)/C=C\C)C(=O)CC2=CC=CC=C2
ChEBI Ontology
Outgoing Isoeugenol phenylacetate (CHEBI:174698) is a benzoate ester (CHEBI:36054)
Isoeugenol phenylacetate (CHEBI:174698) is a phenols (CHEBI:33853)
IUPAC Name
[2-methoxy-4-[(Z)-prop-1-enyl]phenyl] 2-phenylacetate
Manual Xrefs Databases
20136317 ChemSpider
HMDB0037278 HMDB
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