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Details of Pregnane-3alpha,21-diol-11,20-dione, 5beta-

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Role	Metabolite
MPIMP ID	M001140
stereoisomer
isotopomer	ambient
formula	C21H32O4
molecular mass	348.477
monoisotopic mass	348.23006
InChI	InChI=1S/C21H32O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h12-16,19,22-23H,3-11H2,1-2H3/t12-,13-,14+,15+,16-,19-,20+,21+/m1/s1
InChIKey	XWYBFXIUISNTQG-RHBMFIQRSA-N
class
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Metabolite(guid%279cc60d5c-c0f1-40a6-ac82-41665186a079%27)

Synonyms of Pregnane-3alpha,21-diol-11,20-dione, 5beta-

property	value
ChemSpider ID	194305
PubChem CID	223684
PubChem SID	92297759
synonym	Pregnane-3alpha,21-diol-11,20-dione, 5beta-
4 synonym(s)

Derivatives of Pregnane-3alpha,21-diol-11,20-dione, 5beta-

analyte	stereoisomer	isotopomer
Pregnane-3alpha,21-diol-11,20-dione, 5beta- (1MEOX) (2TMS) MP		ambient
Pregnane-3alpha,21-diol-11,20-dione, 5beta- (1MEOX) (2TMS) BP		ambient
2 analyte(s)

Reference substances of Pregnane-3alpha,21-diol-11,20-dione, 5beta-

reference substance	supplier	supplier code	lot
No Reference substances found!

Isotopomers and stereoisomers of Pregnane-3alpha,21-diol-11,20-dione, 5beta-

metabolite	stereoisomer	isotopomer
no hits!

Quantitative Pregnane-3alpha,21-diol-11,20-dione, 5beta- 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 Pregnane-3alpha,21-diol-11,20-dione, 5beta- Profile Data

species
no qualitative metabolite profile data available!

compound timestamp information
deposited	at 4/17/2009 by Strehmel N., Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), 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	Strehmel N., Hummel J.

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