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Details of Shikimic acid (4TMS)

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Role Analyte
nameShikimic acid (4TMS)
MPIMP IDA181002
isotopomerambient
formulaC19H42O5Si4
molecular mass462.876
monoisotopic mass462.21093
InChIInChI=1S/C19H42O5Si4/c1-25(2,3)21-16-13-15(19(20)24-28(10,11)12)14-17(22-26(4,5)6)18(16)23-27(7,8)9/h13,16-18H,14H2,1-12H3/t16-,17-,18-/m1/s1
InChIKeyLMFAUEGOCMAFIW-KZNAEPCWSA-N
substructure TMS4
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)1,794.63
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%271e0dfe20-fcd1-43df-8de2-901e95a51523%27)

Synonyms of Shikimic acid (4TMS)

propertyvalue
ChemSpider ID529555
PubChem CID609197
2 synonym(s)

Metabolite mapped to Shikimic acid (4TMS)

Reference spectra of Shikimic acid (4TMS)

replicaentry datedetectionmethodspecies
218/28/2012 5:51:49 PM MassBank GC 2010 Kusano 
13/15/2005 12:00:00 AM M[6]Reference Substance
29/11/2005 12:00:00 AM M[FAME4090]Standard
39/1/2001 12:00:00 AM M[2]Standard Addition
410/1/2001 12:00:00 AM M[EIGTMS]Standard
511/26/2004 12:00:00 AM M[FAME4090]Standard
66/12/2003 12:00:00 AM M[2]Arabidopsis thaliana
77/19/2007 11:16:30 AM VAR5Reference Substance
81/25/2005 12:00:00 AM M[MOR] 
246/5/2013 12:39:00 PM MRI_2013 
24 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 8/11/2011 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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