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Details of benzylsuccinic acid

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Role	Metabolite
MPIMP ID	M001523
stereoisomer
isotopomer	ambient
formula	C11H12O4
molecular mass	208.211
monoisotopic mass	208.07356
InChI	InChI=1S/C11H12O4/c12-10(13)7-9(11(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)
InChIKey	GTOFKXZQQDSVFH-UHFFFAOYSA-N
class
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Metabolite(guid%27c31ab1b8-b425-4daf-814c-c8e7a38e40e1%27)

Synonyms of benzylsuccinic acid

property	value
CAS	884-33-3
ChEBI ID	CHEBI:16054
ChEBI ontology	has functional parent succinic acid
ChEBI ontology	is a dicarboxylic acid
ChEBI ontology	is conjugate acid of (R)-2-benzylsuccinate
ChEBI ontology	is conjugate acid of 2-benzylsuccinate(2-)
ChemSpider ID	3724
synonym	(phenylmethyl)butanedioic acid
synonym	2-benzylbutanedioic acid
synonym	2-benzylsuccinic acid
15 synonym(s)
Page of 2 Results per page:

Derivatives of benzylsuccinic acid

analyte	stereoisomer	isotopomer
[3858] benzylsuccinic acid [17.197]		ambient
1 analyte(s)

Reference substances of benzylsuccinic acid

reference substance	supplier	supplier code	lot
No Reference substances found!

Isotopomers and stereoisomers of benzylsuccinic acid

metabolite	stereoisomer	isotopomer
no hits!

Quantitative benzylsuccinic 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 benzylsuccinic acid Profile Data

species
no qualitative metabolite profile data available!

compound timestamp information
deposited	at 9/24/2012 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	Hummel J.

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