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Details of 3,4-Dihydroxymandelic acid

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Role	Metabolite
MPIMP ID	M000867
stereoisomer	D-
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)/t7-/m0/s1
InChIKey	RGHMISIYKIHAJW-ZETCQYMHSA-N
class	Acid (Aromatic)
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Metabolite(guid%27076e6175-9762-40d6-a76f-5ba7eaf72ce8%27)

Synonyms of 3,4-Dihydroxymandelic acid

property	value
ChemSpider ID	4482188
note	search for CAS-ID
PubChem CID	5324669
PubChem SID	92297904
synonym	3,4-Dihydroxymandelic acid, D-
5 synonym(s)

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	DL-	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 12/11/2006 by Kopka J., Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany
last changed	at 8/11/2011 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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