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Details of Vanillin

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Role	Metabolite
MPIMP ID	M001432
stereoisomer
isotopomer	ambient
formula	C8H8O3
molecular mass	152.148
monoisotopic mass	152.04735
InChI	InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3
InChIKey	MWOOGOJBHIARFG-UHFFFAOYSA-N
class
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Metabolite(guid%277c452c9c-4ee3-44e5-9c73-ce0e8b140775%27)

Synonyms of Vanillin

property	value
CAS	121-33-5
ChEBI ID	ChEBI:18346
ChEBI ontology	has role anticonvulsant
ChEBI ontology	has role antioxidant
ChEBI ontology	has role flavouring agent
ChEBI ontology	has role secondary metabolite
ChEBI ontology	is a benzaldehydes
ChEBI ontology	is a phenols
ChemSpider ID	13860434
CHLAMYCYC-ID	4-HYDROXYPHENYLACETATE
26 synonym(s)
Page of 3 Results per page:

Derivatives of Vanillin

analyte	stereoisomer	isotopomer
[1183] vanillin [14.707]		ambient
1 analyte(s)

Reference substances of Vanillin

reference substance	supplier	supplier code	lot
Vanillin	Sigma	V2375
Vanillin	Sigma	94750	1078560 11005242
2 reference substance(s)

Isotopomers and stereoisomers of Vanillin

metabolite	stereoisomer	isotopomer
no hits!

Quantitative Vanillin 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 Vanillin 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 3/22/2019 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
modified by users	Hummel J., Fehrle I.

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