EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:173981 - 3-Hydroxy-4-methoxymandelate

ChEBI IDCHEBI:173981
ChEBI Name3-Hydroxy-4-methoxymandelate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H10O5
Net Charge0
Average Mass198.174
Monoisotopic Mass198.05282
SMILESCOc1ccc([C@@H](O)C(=O)O)cc1O
InChIInChI=1S/C9H10O5/c1-14-7-3-2-5(4-6(7)10)8(11)9(12)13/h2-4,8,10-11H,1H3,(H,12,13)/t8-/m1/s1
InChIKeyPXMUSCHKJYFZFD-MRVPVSSYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-Hydroxy-4-methoxymandelate (CHEBI:173981) is a methoxybenzenes (CHEBI:51683)
3-Hydroxy-4-methoxymandelate (CHEBI:173981) is a phenols (CHEBI:33853)
IUPAC Name 
(2R)-2-hydroxy-2-(3-hydroxy-4-methoxyphenyl)acetic acid
Manual XrefsDatabases
HMDB0029170HMDB
746089ChemSpider