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Details of Inositol, allo- (6TMS)

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Role Analyte
nameInositol, allo- (6TMS)
MPIMP IDA189011
isotopomerambient
formulaC24H60O6Si6
molecular mass613.243
monoisotopic mass612.30055
InChIInChI=1S/C24H60O6Si6/c1-31(2,3)25-19-20(26-32(4,5)6)22(28-34(10,11)12)24(30-36(16,17)18)23(29-35(13,14)15)21(19)27-33(7,8)9/h19-24H,1-18H3/t19-,20-,21-,22-,23-,24+
InChIKeyFRTKXRNTVMCAKI-MPPLZZCSSA-N
substructure TMS6
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)1,861.26
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%279ab60213-1ec0-4b11-992a-73cc3b73437c%27)

Synonyms of Inositol, allo- (6TMS)

propertyvalue
PubChem CID520232
1 synonym(s)

Metabolite mapped to Inositol, allo- (6TMS)

metabolitestereoisomerisotopomer
allo-Inositolallo- ambient
1 metabolite(s)

Reference spectra of Inositol, allo- (6TMS)

replicaentry datedetectionmethodspecies
18/1/2002 12:00:00 AM M[2]Lotus japonicus (Regel) K. Larsen
63/30/2011 4:52:37 PM Fiehn_GC_2010 
27/19/2007 11:16:30 AM VAR5Reference Substance
35/12/2005 12:00:00 AM M[NIST] 
411/26/2004 12:00:00 AM M[FAME4090]Standard
57/19/2007 11:16:30 AM MDN35Reference Substance
6 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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