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Details of Tocopherol, beta-

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Role	Metabolite
MPIMP ID	M000624
stereoisomer	beta-
isotopomer	ambient
formula	C28H48O2
molecular mass	416.681
monoisotopic mass	416.36543
InChI	InChI=1S/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-24(6)26(29)19-23(5)27(25)30-28/h19-22,29H,8-18H2,1-7H3/t21-,22-,28-/m1/s1
InChIKey	WGVKWNUPNGFDFJ-DQCZWYHMSA-N
class	Terpenoid (Tocopherols)
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Metabolite(guid%27fa7ba838-41f9-4b85-947d-f3a920942587%27)

Synonyms of Tocopherol, beta-

property	value
BRENDA	14976
CAS	148-03-8
ChEBI ID	ChEBI:47771
ChEBI ontology	is a tocopherol
ChemSpider ID	5256784
MAPMAN	beta-Tocopherol
MetaCyc	BETA-TOCOPHEROL
PubChem CID	6857447
PubChem SID	92298665
synonym	(2R)-2,5,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-ol
18 synonym(s)
Page of 2 Results per page:

Derivatives of Tocopherol, beta-

analyte	stereoisomer	isotopomer
Tocopherol, beta- (1TMS)		ambient
1 analyte(s)

Reference substances of Tocopherol, beta-

reference substance	supplier	supplier code
Tocopherol, beta-	Supelco	4041-U
beta-Tocopherol	Calbiochem	KP5102
2 reference substance(s)

Isotopomers and stereoisomers of Tocopherol, beta-

metabolite	stereoisomer	isotopomer
no hits!

Quantitative Tocopherol, beta- 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 Tocopherol, beta- 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 7/25/2014 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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