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Details of Obtusifoliol (1TMS)

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Role Analyte
nameObtusifoliol (1TMS)
MPIMP IDA338010
isotopomerambient
formulaC33H58OSi
molecular mass498.900
monoisotopic mass498.42569
InChIInChI=1S/C33H58OSi/c1-22(2)23(3)12-13-24(4)26-16-20-33(8)29-15-14-27-25(5)30(34-35(9,10)11)18-19-31(27,6)28(29)17-21-32(26,33)7/h22,24-27,30H,3,12-21H2,1-2,4-11H3/t24-,25+,26-,27+,30+,31+,32-,33+/m1/s1
InChIKeyCRKSHDVECDFRSX-GMIYQWOCSA-N
substructure TMS1
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)3,408.82
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%27517c4112-9dca-494b-a296-bb5dd6660e45%27)

Synonyms of Obtusifoliol (1TMS)

Metabolite mapped to Obtusifoliol (1TMS)

metabolitestereoisomerisotopomer
Obtusifoliol(3.beta.,4.alpha.,5.alpha.)- ambient
1 metabolite(s)

Reference spectra of Obtusifoliol (1TMS)

replicaentry datedetectionmethodspecies
15/12/2005 12:00:00 AM M[NIST] 
212/8/2005 12:00:00 AM M[MOR] 
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.
service last updated 17/02/2017 © 2008-2014 Golm Metabolome Database - All rights reserved
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