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Details of Pinitol, D- (5TMS)

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Role Analyte
namePinitol, D- (5TMS)
MPIMP IDA183002
isotopomerambient
formulaC22H54O6Si5
molecular mass555.088
monoisotopic mass554.27667
InChIInChI=1S/C22H54O6Si5/c1-23-17-18(24-29(2,3)4)20(26-31(8,9)10)22(28-33(14,15)16)21(27-32(11,12)13)19(17)25-30(5,6)7/h17-22H,1-16H3/t17?,18-,19+,20-,21-,22?/m1/s1
InChIKeyIKOVCQNLJNHSBD-GFFXXBOJSA-N
substructure TMS5
substructure TBS0
substructure H3ON0
substructure CH3O1
retention index (VAR5 method, n-alkanes C10–C36)1,817.76
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%27dfedbee2-6b66-4b52-b802-dbd1df6905c0%27)

Synonyms of Pinitol, D- (5TMS)

propertyvalue
no synonym(s) available!

Metabolite mapped to Pinitol, D- (5TMS)

metabolitestereoisomerisotopomer
PinitolD- ambient
1 metabolite(s)

Reference spectra of Pinitol, D- (5TMS)

replicaentry datedetectionmethodspecies
12/1/2005 12:00:00 AM M[6]Reference Substance
212/8/2003 12:00:00 AM M[2]Standard
38/1/2002 12:00:00 AM M[2]Lotus japonicus (Regel) K. Larsen
86/5/2013 12:39:00 PM MRI_2013 
51/22/2005 12:00:00 AM M[ROE] 
610/12/2005 12:00:00 AM M[BAR] 
75/1/2001 12:00:00 AM M[EIGTMS]Arabidopsis thaliana
7 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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