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Details of Calystegine B4

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Role	Metabolite
MPIMP ID	M000332
stereoisomer
isotopomer	ambient
formula	C7H13NO4
molecular mass	175.183
monoisotopic mass	175.08446
InChI	InChI=1S/C7H13NO4/c9-4-3-1-2-7(12,8-3)6(11)5(4)10/h3-6,8-12H,1-2H2/t3?,4-,5-,6+,7-/m1/s1
InChIKey	FXFBVZOJVHCEDO-XHQAPYKUSA-N
class	Calystegine
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Metabolite(guid%27bfeeb4aa-1d99-4bb3-a39d-96e6e89e7014%27)

Synonyms of Calystegine B4

property	value
BRENDA	80028
CAS	184046-85-3
ChemSpider ID	24534248
MAPMAN	Calystegine B4
PubChem SID	92298210
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
synonym	Calystegine B4
8 synonym(s)

Derivatives of Calystegine B4

analyte	stereoisomer	isotopomer
Calystegine B4 (1MEOX) (4TMS)		ambient
Calystegine B4 (1MEOX) (3TMS)		ambient
Calystegine B4 (4TMS)		ambient
Calystegine B4 (1MEOX) (4TMS)		ambient
Calystegine B4 (5TMS)		ambient
5 analyte(s)

Reference substances of Calystegine B4

reference substance	supplier	supplier code	lot
Calystegine B4	Dräger B, Martin-Luther-University Halle-Wittenberg, Institute of Pharmaceutical Biology, D-06120 Halle, Germany
1 reference substance(s)

Isotopomers and stereoisomers of Calystegine B4

metabolite	stereoisomer	isotopomer
no hits!

Quantitative Calystegine B4 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 B4 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 5/21/2012 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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