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Details of Calystegine C1

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Role	Metabolite
MPIMP ID	M000337
stereoisomer
isotopomer	ambient
formula	C7H13NO5
molecular mass	191.182
monoisotopic mass	191.07937
InChI	InChI=1S/C7H13NO5/c9-2-1-7(13)6(12)5(11)4(10)3(2)8-7/h2-6,8-13H,1H2/t2-,3-,4+,5-,6+,7-/m1/s1
InChIKey	GGOJRYWHKVYFQK-XQCVOTFFSA-N
class	Calystegine
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Metabolite(guid%2717848cee-8b3e-4565-b416-84bd42c567d7%27)

Synonyms of Calystegine C1

property	value
BRENDA	49428
CAS	156705-04-3
ChemSpider ID	8256794
MAPMAN	Calystegine C1
PubChem CID	10081256
PubChem SID	92298119
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-1,2,3,4,6-pentaol
synonym	Calystegine C1
9 synonym(s)

Derivatives of Calystegine C1

analyte	stereoisomer	isotopomer
Calystegine C1 (1MEOX) (TMS)		ambient
Calystegine C1 (1MEOX) (TMS)		ambient
2 analyte(s)

Reference substances of Calystegine C1

reference substance	supplier	supplier code	lot
Calystegine C1	Dräger B, Martin-Luther-University Halle-Wittenberg, Institute of Pharmaceutical Biology, D-06120 Halle, Germany
1 reference substance(s)

Isotopomers and stereoisomers of Calystegine C1

metabolite	stereoisomer	isotopomer
no hits!

Quantitative Calystegine C1 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 C1 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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