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Details of Digitoxose (1MEOX) (3TMS) BP

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Role Analyte
nameDigitoxose (1MEOX) (3TMS) BP
MPIMP IDA160012
isotopomerambient
formulaC16H39NO4Si3
molecular mass393.742
monoisotopic mass393.21869
InChIInChI=1S/C16H39NO4Si3/c1-14(19-22(3,4)5)16(21-24(9,10)11)15(12-13-17-18-2)20-23(6,7)8/h13-16H,12H2,1-11H3/b17-13+/t14-,15+,16-/m1/s1
InChIKeyIYNKIROLLOUFFZ-UEJJJKNBSA-N
substructure TMS3
substructure TBS0
substructure H3ON1
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)1,602.43
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%27c86f9bf6-e7c2-46e1-a06a-37cde4893427%27)

Synonyms of Digitoxose (1MEOX) (3TMS) BP

Metabolite mapped to Digitoxose (1MEOX) (3TMS) BP

metabolitestereoisomerisotopomer
Digitoxose  ambient
1 metabolite(s)

Reference spectra of Digitoxose (1MEOX) (3TMS) BP

replicaentry datedetectionmethodspecies
17/19/2007 11:16:30 AM VAR5Reference Substance
27/19/2007 11:16:30 AM MDN35Reference Substance
2 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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