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CHEBI:136890 - 3-dimethylallyl-4-hydroxymandelate

ChEBI IDCHEBI:136890
ChEBI Name3-dimethylallyl-4-hydroxymandelate
Stars
DefinitionA hydroxy monocarboxylic acid anion that is the conjugate base of 3-dimethylallyl-4-hydroxymandelic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified7 July 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC13H15O4
Net Charge-1
Average Mass235.259
Monoisotopic Mass235.09758
SMILESCC(C)=CCc1cc(C(O)C(=O)[O-])ccc1O
InChIInChI=1S/C13H16O4/c1-8(2)3-4-9-7-10(5-6-11(9)14)12(15)13(16)17/h3,5-7,12,14-15H,4H2,1-2H3,(H,16,17)/p-1
InChIKeyVBHJEUYYPUPECH-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
3-dimethylallyl-4-hydroxymandelate (CHEBI:136890) is a hydroxy monocarboxylic acid anion (CHEBI:36059)
3-dimethylallyl-4-hydroxymandelate (CHEBI:136890) is conjugate base of 3-dimethylallyl-4-hydroxymandelic acid (CHEBI:31112)
Incoming Relation(s)
3-dimethylallyl-4-hydroxymandelic acid (CHEBI:31112) is conjugate acid of 3-dimethylallyl-4-hydroxymandelate (CHEBI:136890)
IUPAC Name 
hydroxy[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]acetate
Synonym  Source
4-hydroxy-3-prenylmandelateSUBMITTER
UniProt Name  Source
3-dimethylallyl-4-hydroxymandelateUniProt
Manual XrefsDatabases
CPD-15502MetaCyc
Citations