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Details of Benzoic acid, 3,4-dihydroxy-

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Role	Metabolite
MPIMP ID	M001002
stereoisomer
isotopomer	ambient
formula	C7H6O4
molecular mass	154.120
monoisotopic mass	154.02661
InChI	InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)
InChIKey	YQUVCSBJEUQKSH-UHFFFAOYSA-N
class
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Metabolite(guid%27976c8cce-b25d-4e0a-9a6f-3ceea7a6964f%27)

Synonyms of Benzoic acid, 3,4-dihydroxy-

property	value
BRENDA	36431
CAS	99-50-3
ChEBI ID	ChEBI:36062
ChEBI ontology	has functional parent benzoic acid
ChEBI ontology	has role metabolite
ChEBI ontology	is a catechols
ChEBI ontology	is a dihydroxybenzoic acid
ChEBI ontology	is conjugate acid of 3,4-dihydroxybenzoate
ChemSpider ID	71
PubChem CID	72
18 synonym(s)
Page of 2 Results per page:

Derivatives of Benzoic acid, 3,4-dihydroxy-

analyte	stereoisomer	isotopomer
Benzoic acid, 3,4-dihydroxy- (3TMS)		ambient
1 analyte(s)

Reference substances of Benzoic acid, 3,4-dihydroxy-

reference substance	supplier	supplier code	lot
Benzoic acid, 3,4-dihydroxy-	Sigma	37580	32704203
Benzoic acid, 3,4-dihydroxy-	Sigma	P5630
2 reference substance(s)

Isotopomers and stereoisomers of Benzoic acid, 3,4-dihydroxy-

metabolite	stereoisomer	isotopomer
no hits!

Quantitative Benzoic acid, 3,4-dihydroxy- 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, 3,4-dihydroxy- Profile Data

species
no qualitative metabolite profile data available!

compound timestamp information
deposited	at 4/15/2009 by Strehmel N., 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 5/21/2012 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
modified by users	Strehmel N., Hummel J.

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