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Details of Vanillic acid

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Role	Metabolite
MPIMP ID	M000866
stereoisomer	no
isotopomer	ambient
formula	C8H8O4
molecular mass	168.147
monoisotopic mass	168.04226
InChI	InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)
InChIKey	WKOLLVMJNQIZCI-UHFFFAOYSA-N
class	Acid (Aromatic)
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Metabolite(guid%273e9555e5-85f5-4fce-a429-5182e959c6a3%27)

Synonyms of Vanillic acid

property	value
BRENDA	26698
CAS	121-34-6
ChEBI ID	ChEBI:30816
ChEBI ontology	has role secondary metabolite
ChEBI ontology	is a methoxybenzoic acid
ChEBI ontology	is a monohydroxybenzoic acid
ChEBI ontology	is conjugate acid of vanillate
ChemSpider ID	8155
PubChem CID	8468
PubChem SID	92297843
13 synonym(s)
Page of 2 Results per page:

Derivatives of Vanillic acid

analyte	stereoisomer	isotopomer
Vanillic acid (2TMS)		ambient
1 analyte(s)

Reference substances of Vanillic acid

reference substance	supplier	supplier code	lot
Vanillic acid	Sigma	H36001
Vanillic acid	Sigma	V2250	128H2513
2 reference substance(s)

Isotopomers and stereoisomers of Vanillic acid

metabolite	stereoisomer	isotopomer
no hits!

Quantitative Vanillic 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 Vanillic acid 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., Strehmel N., Hummel J.

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