CHEBI:193411 - 4-Methoxybenzyl 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 4-Methoxybenzyl phenylacetate
ChEBI ID CHEBI:193411
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C16H16O3
Net Charge 0
Average Mass 256.301
Monoisotopic Mass 256.10994
InChI InChI=1S/C16H16O3/c1-18-15-9-7-14(8-10-15)12-19-16(17)11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3
InChIKey VCYWCSZLXMMLLE-UHFFFAOYSA-N
SMILES O(CC1=CC=C(OC)C=C1)C(=O)CC2=CC=CC=C2
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing 4-Methoxybenzyl phenylacetate (CHEBI:193411) has functional parent benzyl alcohol (CHEBI:17987)
4-Methoxybenzyl phenylacetate (CHEBI:193411) is a carboxylic ester (CHEBI:33308)
IUPAC Name
(4-methoxyphenyl)methyl 2-phenylacetate
Manual Xrefs Databases
7317 ChemSpider
HMDB0034992 HMDB
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Registry Number Type Source
102-17-0 CAS Registry Number ChemIDplus