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Details of Calystegine B2

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Role	Metabolite
MPIMP ID	M000360
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-IBISWUOJSA-N
class	Calystegine
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Metabolite(guid%27127e4c51-f774-4783-bf04-584e35802638%27)

Synonyms of Calystegine B2

property	value
BRENDA	80028
CAS	127414-85-1
ChEBI ID	ChEBI:603980
ChemSpider ID	110826
MAPMAN	Calystegine B2
PubChem CID	124434
PubChem SID	92297881
publication	Dräger B (2004) Chemistry and biology of calystegines. Nat Prod Rep 21: 211-223 [doi: 10.1039/ b300289f]
synonym	(+)-calystegine B2
synonym	(1R,2S,3R,4S,5R)-1234-tetrahydroxynortropane
13 synonym(s)
Page of 2 Results per page:

Derivatives of Calystegine B2

analyte	stereoisomer	isotopomer
Calystegine B2 (4TMS)		ambient
Calystegine B2 (1MEOX) (3TMS) BP		ambient
Calystegine B2 (1MEOX) (5TMS)		ambient
Calystegine B2 (1MEOX) (4TMS) BP		ambient
Calystegine B2 (1MEOX) (3TMS) MP		ambient
Calystegine B2 (1MEOX) (5TMS)		ambient
Calystegine B2 (5TMS)		ambient
Calystegine B2 (1MEOX) (4TMS) MP		ambient
8 analyte(s)

Reference substances of Calystegine B2

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

Isotopomers and stereoisomers of Calystegine B2

metabolite	stereoisomer	isotopomer
no hits!

Quantitative Calystegine B2 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 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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