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CHEBI:20106 - vanillylmandelic acid

ChEBI IDCHEBI:20106
ChEBI Namevanillylmandelic acid
Stars
DefinitionAn aromatic ether that is the 3-O-methyl ether of 3,4-dihydroxymandelic acid.
Last Modified23 October 2015
DownloadsMolfile

FormulaC9H10O5
Net Charge0
Average Mass198.174
Monoisotopic Mass198.05282
SMILESCOc1cc(C(O)C(=O)O)ccc1O
InChIInChI=1S/C9H10O5/c1-14-7-4-5(2-3-6(7)10)8(11)9(12)13/h2-4,8,10-11H,1H3,(H,12,13)
InChIKeyCGQCWMIAEPEHNQ-UHFFFAOYSA-N

Wikipedia
Roles Classification

ChEBI Ontology
IUPAC Name 
2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid
Synonyms  Source
3-methoxy-4-hydroxymandelic acidChEBI
hydroxy(4-hydroxy-3-methoxyphenyl)acetic acidIUPAC
Vanilmandelic acidChemIDplus
Vanillylmandelic acidKEGG COMPOUND
Manual XrefsDatabases
C05584KEGG COMPOUND
VANILLYL_MANDELATEMetaCyc
Vanillylmandelic_acidWikipedia
HMDB0000291HMDB
Registry NumbersSources
Reaxys:2213227Reaxys
CAS:55-10-7ChemIDplus
CAS:55-10-7KEGG COMPOUND
Citations