CHEBI:168585 - 2-Propenyl 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 2-Propenyl phenylacetate
ChEBI ID CHEBI:168585
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C11H12O2
Net Charge 0
Average Mass 176.215
Monoisotopic Mass 176.08373
InChI InChI=1S/C11H12O2/c1-2-8-13-11(12)9-10-6-4-3-5-7-10/h2-7H,1,8-9H2
InChIKey ZCDYAMJXVAUTIM-UHFFFAOYSA-N
SMILES O(C(=O)CC1=CC=CC=C1)CC=C
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 2-Propenyl phenylacetate (CHEBI:168585) is a benzenes (CHEBI:22712)
IUPAC Name
prop-2-enyl 2-phenylacetate
Manual Xrefs Databases
14946 ChemSpider
HMDB0036905 HMDB
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Registry Number Type Source
1797-74-6 CAS Registry Number ChemIDplus