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Details of Calystegine B2, N-methyl-

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Role	Metabolite
MPIMP ID	M000334
stereoisomer
isotopomer	ambient
formula	C8H15NO4
molecular mass	189.209
monoisotopic mass	189.10011
InChI	InChI=1S/C8H15NO4/c1-9-4-2-3-8(9,13)7(12)6(11)5(4)10/h4-7,10-13H,2-3H2,1H3/t4?,5-,6+,7-,8+/m0/s1
InChIKey	GZDWTPRPLBRISA-YMSFOUKASA-N
class	Calystegine
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Metabolite(guid%27c11476e1-b745-4bb5-9a88-7dfbcefc798c%27)

Synonyms of Calystegine B2, N-methyl-

property	value
CAS	184045-65-6
ChemSpider ID	24534240
MAPMAN	N-Methyl-Calystegine B2
PubChem SID	92298090
publication	Dräger B (2004) Chemistry and biology of calystegines. Nat Prod Rep 21: 211-223 [doi: 10.1039/ b300289f]
synonym	8-Azabicyclo[3.2.1]octane-1,2,3,4-tetraol, N-methyl-
synonym	Calystegine B2, N-methyl-
synonym	N-Methyl-Calystegine B2
8 synonym(s)

Derivatives of Calystegine B2, N-methyl-

analyte	stereoisomer	isotopomer
Calystegine B2, N-methyl- (1MEOX) (4TMS)		ambient
Calystegine B2, N-methyl- (1MEOX) (4TMS)		ambient
2 analyte(s)

Reference substances of Calystegine B2, N-methyl-

reference substance	supplier	supplier code	lot
Calystegine B2, N-methyl-	Dräger B, Martin-Luther-University Halle-Wittenberg, Institute of Pharmaceutical Biology, D-06120 Halle, Germany
1 reference substance(s)

Isotopomers and stereoisomers of Calystegine B2, N-methyl-

metabolite	stereoisomer	isotopomer
no hits!

Quantitative Calystegine B2, N-methyl- 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 Calystegine B2, N-methyl- 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 8/11/2011 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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