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Details of Benzen-1,3-Dicarboxylic acid

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Role	Metabolite
MPIMP ID	M001517
stereoisomer
isotopomer	ambient
formula	C8H6O4
molecular mass	166.131
monoisotopic mass	166.02661
InChI	InChI=1S/C8H6O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)(H,11,12)
InChIKey	QQVIHTHCMHWDBS-UHFFFAOYSA-N
class
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Metabolite(guid%2737010a30-0dbc-4f6f-a45e-e96da70e2986%27)

Synonyms of Benzen-1,3-Dicarboxylic acid

property	value
CAS	121-91-5
ChEBI ID	CHEBI:30802
ChEBI ontology	is a benzenedicarboxylic acid
ChEBI ontology	is conjugate acid of isophthalate(1-)
ChemSpider ID	8182
synonym	Benzen-1,3-Dicarboxylic acid
synonym	benzene-1,3-dicarboxylic acid
synonym	IPA
synonym	isophthalic acid
synonym	m-benzenedicarboxylic acid
11 synonym(s)
Page of 2 Results per page:

Derivatives of Benzen-1,3-Dicarboxylic acid

analyte	stereoisomer	isotopomer
Benzene-1,3-dicarboxylic acid (2TMS)		ambient
1 analyte(s)

Reference substances of Benzen-1,3-Dicarboxylic acid

reference substance	supplier	supplier code	lot
No Reference substances found!

Isotopomers and stereoisomers of Benzen-1,3-Dicarboxylic acid

metabolite	stereoisomer	isotopomer
no hits!

Quantitative Benzen-1,3-Dicarboxylic 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 Benzen-1,3-Dicarboxylic 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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