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Details of Mandelic acid

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Role	Metabolite
MPIMP ID	M000222
stereoisomer	D-
isotopomer	ambient
formula	C8H8O3
molecular mass	152.148
monoisotopic mass	152.04735
InChI	InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)/t7-/m1/s1
InChIKey	IWYDHOAUDWTVEP-SSDOTTSWSA-N
class	Acid (Aromatic)
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Metabolite(guid%2708c65df7-6ddf-44b3-9490-02a43d9d33c1%27)

Synonyms of Mandelic acid

property	value
ChEBI ID	ChEBI:17656
ChEBI ontology	is a mandelic acid
ChEBI ontology	is conjugate acid of (R)-mandelate
ChEBI ontology	is enantiomer of (S)-mandelic acid
ChemSpider ID	11420
note	search for CAS-ID
PubChem CID	11914
PubChem SID	92297421
synonym	(-)-(R)-mandelic acid
synonym	(-)-alpha-hydroxyphenylacetic acid
23 synonym(s)
Page of 3 Results per page:

Derivatives of Mandelic acid

analyte	stereoisomer	isotopomer
no hits!

Reference substances of Mandelic acid

reference substance	supplier	supplier code
Mandelic acid	Merck	8.06913.1000
Mandelic acid	Merck	8.06913.1000
2 reference substance(s)

Isotopomers and stereoisomers of Mandelic acid

metabolite	stereoisomer	isotopomer
Mandelic acid	DL-	ambient
1 metabolite(s)

Quantitative Mandelic 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 Mandelic 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 9/6/2011 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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