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Details of Etiocholan-17beta-ol-3-one (1MEOX) (1TMS)

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Role Analyte
nameEtiocholan-17beta-ol-3-one (1MEOX) (1TMS)
MPIMP IDA268011
isotopomerambient
formulaC23H41NO2Si
molecular mass391.663
monoisotopic mass391.29066
InChIInChI=1S/C23H41NO2Si/c1-22-13-11-17(24-25-3)15-16(22)7-8-18-19-9-10-21(26-27(4,5)6)23(19,2)14-12-20(18)22/h16,18-21H,7-15H2,1-6H3/b24-17+/t16?,18-,19-,20-,21-,22-,23-/m0/s1
InChIKeyAINIUIHENKWQAQ-CNMOXYNTSA-N
substructure TMS1
substructure TBS0
substructure H3ON1
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)2,682.22
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%2785060711-2fbb-4866-9e8e-95df208304b1%27)

Synonyms of Etiocholan-17beta-ol-3-one (1MEOX) (1TMS)

Metabolite mapped to Etiocholan-17beta-ol-3-one (1MEOX) (1TMS)

Reference spectra of Etiocholan-17beta-ol-3-one (1MEOX) (1TMS)

replicaentry datedetectionmethodspecies
17/19/2007 11:16:30 AM MDN35Reference Substance
53/30/2011 4:52:37 PM Fiehn_GC_2010 
27/19/2007 11:16:30 AM MDN35Reference Substance
37/19/2007 11:16:30 AM VAR5Reference Substance
47/19/2007 11:16:30 AM VAR5Reference Substance
5 spectrum(a)
compound timestamp information
deposited at 7/16/2007 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
last changed at 8/9/2011 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
modified by users Hummel J.
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