CHEBI:65054 - 3,4-methylenedioxymandelic acid

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ChEBI Name 3,4-methylenedioxymandelic acid
ChEBI ID CHEBI:65054
Definition A 2-hydroxy monocarboxylic acid that is mandelic acid in which positions 3 and 4 on the benzene ring are substituted by a methylenedioxy group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C9H8O5
Net Charge 0
Average Mass 196.15680
Monoisotopic Mass 196.03717
InChI InChI=1S/C9H8O5/c10-8(9(11)12)5-1-2-6-7(3-5)14-4-13-6/h1-3,8,10H,4H2,(H,11,12)
InChIKey CLUJFRCEPFNVHW-UHFFFAOYSA-N
SMILES OC(C(O)=O)c1ccc2OCOc2c1
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3,4-methylenedioxymandelic acid (CHEBI:65054) has functional parent mandelic acid (CHEBI:35825)
3,4-methylenedioxymandelic acid (CHEBI:65054) has role metabolite (CHEBI:25212)
3,4-methylenedioxymandelic acid (CHEBI:65054) is a 2-hydroxy monocarboxylic acid (CHEBI:49302)
3,4-methylenedioxymandelic acid (CHEBI:65054) is a benzodioxoles (CHEBI:38298)
IUPAC Name
1,3-benzodioxol-5-yl(hydroxy)acetic acid
Synonym Source
alpha-Hydroxy-1,3-benzodioxole-5-acetic acid ChemIDplus
Registry Numbers Types Sources
209546 Reaxys Registry Number Reaxys
27738-46-1 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
17439666 PubMed citation Europe PMC
Last Modified
26 June 2012