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Details of Mandelic acid, 4-hydroxy-3-methoxy-

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Role	Metabolite
MPIMP ID	M001015
stereoisomer
isotopomer	ambient
formula	C9H10O5
molecular mass	198.173
monoisotopic mass	198.05283
InChI	InChI=1S/C9H10O5/c1-14-7-4-5(2-3-6(7)10)8(11)9(12)13/h2-4,8,10-11H,1H3,(H,12,13)
InChIKey	CGQCWMIAEPEHNQ-UHFFFAOYSA-N
class
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Metabolite(guid%27dcd57880-fbee-4ed4-a834-92387d266e8a%27)

Synonyms of Mandelic acid, 4-hydroxy-3-methoxy-

property	value
BRENDA	27076
ChEBI ID	ChEBI:20106
ChEBI ontology	has functional parent mandelic acid
ChEBI ontology	is a aromatic ether
ChemSpider ID	1207
PubChem CID	1245
PubChem SID	24277743
PubChem SID	92298186
synonym	2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid
synonym	3-methoxy-4-hydroxymandelic acid
18 synonym(s)
Page of 2 Results per page:

Derivatives of Mandelic acid, 4-hydroxy-3-methoxy-

analyte	stereoisomer	isotopomer
Mandelic acid, 4-hydroxy-3-methoxy- (3TMS)		ambient
1 analyte(s)

Reference substances of Mandelic acid, 4-hydroxy-3-methoxy-

reference substance	supplier	supplier code	lot
Mandelic acid, 4-hydroxy-3-methoxy-	Sigma	H0131
1 reference substance(s)

Isotopomers and stereoisomers of Mandelic acid, 4-hydroxy-3-methoxy-

metabolite	stereoisomer	isotopomer
no hits!

Quantitative Mandelic acid, 4-hydroxy-3-methoxy- 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 Mandelic acid, 4-hydroxy-3-methoxy- Profile Data

species
no qualitative metabolite profile data available!

compound timestamp information
deposited	at 4/15/2009 by Strehmel N., 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 5/21/2012 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
modified by users	Strehmel N., Hummel J.

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