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CHEBI:32800 - (S)-mandelic acid

ChEBI IDCHEBI:32800
ChEBI Name(S)-mandelic acid
Stars
ASCII Name(S)-mandelic acid
Secondary ChEBI IDsCHEBI:424, CHEBI:18787, CHEBI:45767
Last Modified4 May 2018
SubmitterKirill Degtyarenko
DownloadsMolfile

FormulaC8H8O3
Net Charge0
Average Mass152.149
Monoisotopic Mass152.04734
SMILESO=C(O)[C@@H](O)c1ccccc1
InChIInChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)/t7-/m0/s1
InChIKeyIWYDHOAUDWTVEP-ZETCQYMHSA-N

Roles Classification

ChEBI Ontology
IUPAC Name 
(2S)-hydroxy(phenyl)acetic acid
Synonyms  Source
(S)-2-Hydroxy-2-phenylacetic acidKEGG COMPOUND
(S)-Mandelic acidKEGG COMPOUND
L-mandelic acidChemIDplus
(S)-α-hydroxybenzeneacetic acidChemIDplus
(S)-Mandelsäure  deChEBI
(S)-MANDELIC ACIDPDBeChem
Manual XrefsDatabases
C01984KEGG COMPOUND
SMNPDBeChem
DB03357DrugBank
Registry NumbersSources
Beilstein:2208678Beilstein
Gmelin:69017Gmelin
CAS:90-64-2KEGG COMPOUND
CAS:611-72-3KEGG COMPOUND
CAS:17199-29-0ChemIDplus
CAS:17199-29-0KEGG COMPOUND