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Details of Digoxigenin

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Role	Metabolite
MPIMP ID	M000307
stereoisomer
isotopomer	ambient
formula	C23H34O5
molecular mass	390.514
monoisotopic mass	390.24063
InChI	InChI=1S/C23H34O5/c1-21-7-5-15(24)10-14(21)3-4-17-18(21)11-19(25)22(2)16(6-8-23(17,22)27)13-9-20(26)28-12-13/h9,14-19,24-25,27H,3-8,10-12H2,1-2H3/t14-,15+,16-,17-,18+,19-,21+,22+,23?/m1/s1
InChIKey	SHIBSTMRCDJXLN-BFLGARLMSA-N
class	Terpenoid (Sterols)
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Metabolite(guid%27846fa5c2-6f88-4838-afa3-8d3365e8dbe4%27)

Synonyms of Digoxigenin

property	value
CAS	1672-46-4
ChemSpider ID	24534244
MAPMAN	Digoxigenin
PubChem SID	92298158
synonym	Card-20(22)-enolide, 3,12,14-trihydroxy-, (3-beta-,5-beta-,12-beta-)-
synonym	Digoxigenin
6 synonym(s)

Derivatives of Digoxigenin

analyte	stereoisomer	isotopomer
Digoxigenin, 3,12,23- (3TMS)		ambient
Digoxigenin, 3,12- (2TMS)		ambient
2 analyte(s)

Reference substances of Digoxigenin

reference substance	supplier	supplier code	lot
Digoxigenin
Digoxigenin	Roth
2 reference substance(s)

Isotopomers and stereoisomers of Digoxigenin

metabolite	stereoisomer	isotopomer
no hits!

Quantitative Digoxigenin 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 Digoxigenin 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 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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