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Details of Calystegine B2

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Role Metabolite
MPIMP IDM000360
stereoisomer 
isotopomerambient
formulaC7H13NO4
molecular mass175.183
monoisotopic mass175.08446
InChIInChI=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
InChIKeyFXFBVZOJVHCEDO-IBISWUOJSA-N
classCalystegine
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Metabolite(guid%27127e4c51-f774-4783-bf04-584e35802638%27)

Synonyms of Calystegine B2

propertyvalue
BRENDA80028
CAS127414-85-1
ChEBI IDChEBI:603980
ChemSpider ID110826
MAPMANCalystegine B2
PubChem CID124434
PubChem SID92297881
publicationDräger 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)

Derivatives of Calystegine B2

Reference substances of Calystegine B2

reference substancesuppliersupplier codelot
Calystegine B2Dräger B, Martin-Luther-University Halle-Wittenberg, Institute of Pharmaceutical Biology, D-06120 Halle, Germany   
Calystegine B2Dräger B, Martin-Luther-University Halle-Wittenberg, Institute of Pharmaceutical Biology, D-06120 Halle, Germany   
2 reference substance(s)

Isotopomers and stereoisomers of Calystegine B2

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.
NameOrganismFactorHeatmapBox plotVarianceAnova 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.
service last updated 03/01/2017 © 2008-2014 Golm Metabolome Database - All rights reserved
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