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Details of Benzoic acid, 2,3,4,5,6-d5-

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Role	Metabolite
MPIMP ID	M000347
stereoisomer
isotopomer	²H
formula	C7H(2H)5O2
molecular mass	127.150
monoisotopic mass
InChI	InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/i1D,2D,3D,4D,5D
InChIKey	WPYMKLBDIGXBTP-RALIUCGRSA-N
class	Acid (Aromatic)
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Metabolite(guid%27435e647d-0fb7-4a7f-a7b1-49ba7604ec77%27)

Synonyms of Benzoic acid, 2,3,4,5,6-d5-

property	value
CAS	1079-02-3
ChemSpider ID	64673
synonym	Benzoic acid-2,3,4,5,6-d5
synonym	Benzoic-d5 acid
4 synonym(s)

Derivatives of Benzoic acid, 2,3,4,5,6-d5-

analyte	stereoisomer	isotopomer
Benzoic acid, 2,3,4,5,6-d5- (1TMS)		²H
1 analyte(s)

Reference substances of Benzoic acid, 2,3,4,5,6-d5-

reference substance	supplier	supplier code	lot
Benzoic acid, 2,3,4,5,6-d5-	Isotec	T82-82005	TJ2366-1
1 reference substance(s)

Isotopomers and stereoisomers of Benzoic acid, 2,3,4,5,6-d5-

metabolite	stereoisomer	isotopomer
Benzoic acid	no	ambient
1 metabolite(s)

Quantitative Benzoic acid, 2,3,4,5,6-d5- 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 Benzoic acid, 2,3,4,5,6-d5- Profile Data

species
no qualitative metabolite profile data available!

compound timestamp information
deposited	at 8/29/2006 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	Kopka J., Hummel J.

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