CHEBI:31112 - 3-dimethylallyl-4-hydroxymandelic acid

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ChEBI Name 3-dimethylallyl-4-hydroxymandelic acid ChEBI ID CHEBI:31112 Definition A 2-hydroxy monocarboxylic acid that is mandelic acid carrying dimethylallyl and hydroxy substituents at positions 3 and 4 respectively. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C13H16O4 Net Charge 0 Average Mass 236.264 Monoisotopic Mass 236.10486 InChI InChI=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) InChIKey VBHJEUYYPUPECH-UHFFFAOYSA-N SMILES C=1(C(=CC=C(C1)C(C(O)=O)O)O)CC=C(C)C Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) View more via ChEBI Ontology ChEBI Ontology Outgoing 3-dimethylallyl-4-hydroxymandelic acid (CHEBI:31112) has functional parent mandelic acid (CHEBI:35825) 3-dimethylallyl-4-hydroxymandelic acid (CHEBI:31112) is a 2-hydroxy monocarboxylic acid (CHEBI:49302) 3-dimethylallyl-4-hydroxymandelic acid (CHEBI:31112) is a phenols (CHEBI:33853) 3-dimethylallyl-4-hydroxymandelic acid (CHEBI:31112) is conjugate acid of 3-dimethylallyl-4-hydroxymandelate (CHEBI:136890) Incoming 3-dimethylallyl-4-hydroxymandelate (CHEBI:136890) is conjugate base of 3-dimethylallyl-4-hydroxymandelic acid (CHEBI:31112) IUPAC Name hydroxy[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]acetic acid Synonym Source 4-hydroxy-3-prenylmandelic acid ChEBI Manual Xrefs Databases C12457 KEGG COMPOUND CPD-15502 MetaCyc View more database links Citation Type Source 12777382 PubMed citation Europe PMC Last Modified 07 July 2017