CHEBI:171692 - Octyl phenylacetate

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ChEBI Name Octyl phenylacetate
ChEBI ID CHEBI:171692
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C16H24O2
Net Charge 0
Average Mass 248.366
Monoisotopic Mass 248.17763
InChI InChI=1S/C16H24O2/c1-2-3-4-5-6-10-13-18-16(17)14-15-11-8-7-9-12-15/h7-9,11-12H,2-6,10,13-14H2,1H3
InChIKey VGYPAVUJUMQTGE-UHFFFAOYSA-N
SMILES O(CCCCCCCC)C(=O)CC1=CC=CC=C1
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in Pooled sample (NCIT:C45910). of strain [] See: MetaboLights Study
ChEBI Ontology
Outgoing Octyl phenylacetate (CHEBI:171692) is a carboxylic ester (CHEBI:33308)
IUPAC Name
octyl 2-phenylacetate
Manual Xrefs Databases
55009 ChemSpider
HMDB0037713 HMDB
LMFA07010982 LIPID MAPS
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Registry Number Type Source
122-45-2 CAS Registry Number ChemIDplus