CHEBI:180578 - Mandelic Acid, Methyl Ester

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ChEBI Name Mandelic Acid, Methyl Ester
ChEBI ID CHEBI:180578
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C9H10O3
Net Charge 0
Average Mass 166.176
Monoisotopic Mass 166.06299
InChI InChI=1S/C9H10O3/c1-12-9(11)8(10)7-5-3-2-4-6-7/h2-6,8,10H,1H3
InChIKey ITATYELQCJRCCK-UHFFFAOYSA-N
SMILES OC(C1=CC=CC=C1)C(OC)=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in pancreas (BTO:0000988). of strain PANC-1 cell [BCGO:0000122] See: MetaboLights Study
ChEBI Ontology
Outgoing Mandelic Acid, Methyl Ester (CHEBI:180578) is a benzenes (CHEBI:22712)
IUPAC Name
methyl 2-hydroxy-2-phenylacetate
Manual Xref Database
70444 ChemSpider
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Registry Number Type Source
4358-87-6 CAS Registry Number ChemIDplus