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Details of 3,4-Dihydroxymandelic acid

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Role	Metabolite
MPIMP ID	M000867
stereoisomer	DL-
isotopomer	ambient
formula	C8H8O5
molecular mass	184.146
monoisotopic mass	184.03718
InChI	InChI=1S/C8H8O5/c9-5-2-1-4(3-6(5)10)7(11)8(12)13/h1-3,7,9-11H,(H,12,13)
InChIKey	RGHMISIYKIHAJW-UHFFFAOYSA-N
class	Acid (Aromatic)
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Metabolite(guid%2799f40077-4aad-4a13-8a8e-5b382c0ca42b%27)

Synonyms of 3,4-Dihydroxymandelic acid

property	value
BRENDA	26579
CAS	775-01-9
ChEBI ID	ChEBI:27637
ChEBI ontology	has functional parent mandelic acid
ChEBI ontology	has role antioxidant
ChEBI ontology	has role drug metabolite
ChEBI ontology	has role secondary metabolite
ChEBI ontology	is a 2-hydroxy monocarboxylic acid
ChEBI ontology	is a catechols
ChEBI ontology	is conjugate acid of 3,4-dihydroxymandelate
25 synonym(s)
Page of 3 Results per page:

Derivatives of 3,4-Dihydroxymandelic acid

analyte	stereoisomer	isotopomer
Mandelic acid, 3,4-dihydroxy- (4TMS)	DL-	ambient
1 analyte(s)

Reference substances of 3,4-Dihydroxymandelic acid

reference substance	supplier	supplier code	lot
3,4-Dihydroxymandelic acid	Aldrich	151610	U235-94
3,4-Dihydroxymandelic acid	Aldrich	151610
2 reference substance(s)

Isotopomers and stereoisomers of 3,4-Dihydroxymandelic acid

metabolite	stereoisomer	isotopomer
3,4-Dihydroxymandelic acid	D-	ambient
1 metabolite(s)

Quantitative 3,4-Dihydroxymandelic acid Profile Data

Each graph visualises metabolite concentrations across a single metabolite profiling experiment. Each box plot represents relative (normalised) metabolite concentrations for single replica groups in the specific metabolite profiling experiment.

Name	Organism	Factor	Heatmap	Box plot	Variance	Anova F score
no metabolite profile(s) found.

Qualitative 3,4-Dihydroxymandelic acid Profile Data

species
no qualitative metabolite profile data available!

compound timestamp information
deposited	at 8/29/2006 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
last changed	at 10/1/2012 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
modified by users	Kopka J., Hummel J.

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