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Details of Benzene-1,2,3-triol

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Role	Metabolite
MPIMP ID	M001236
stereoisomer
isotopomer	ambient
formula	C6H6O3
molecular mass	126.110
monoisotopic mass	126.03170
InChI	InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H
InChIKey	WQGWDDDVZFFDIG-UHFFFAOYSA-N
class
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Metabolite(guid%273f5228fc-3152-4943-8810-7d57e272db07%27)

Synonyms of Benzene-1,2,3-triol

property	value
CAS	87-66-1
ChEBI ID	CHEBI:16164
ChEBI ontology	is a benzenetriol
ChemSpider ID	13835557
MetaCyc	PYROGALLOL
synonym	1,2,3-Benzenetriol
synonym	1,2,3-Trihydroxybenzene
synonym	benzene-1,2,3-triol
synonym	Pyrogallic acid
synonym	pyrogallol
10 synonym(s)

Derivatives of Benzene-1,2,3-triol

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

Reference substances of Benzene-1,2,3-triol

reference substance	supplier	supplier code	lot
Benzene-1,2,3-triol	Sigma-Aldrich	254002	MKBD1375
1 reference substance(s)

Isotopomers and stereoisomers of Benzene-1,2,3-triol

metabolite	stereoisomer	isotopomer
Benzene-1,2,3-triol		¹³C
1 metabolite(s)

Quantitative Benzene-1,2,3-triol 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 Benzene-1,2,3-triol Profile Data

species
no qualitative metabolite profile data available!

compound timestamp information
deposited	at 2/15/2011 by Fehrle I., 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 8/7/2013 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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