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Details of Catechin (5TMS)

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Role Analyte
nameCatechin (5TMS)
MPIMP IDA289005
isotopomerambient
formulaC30H54O6Si5
molecular mass651.174
monoisotopic mass650.27667
InChIInChI=1S/C30H54O6Si5/c1-37(2,3)32-23-19-26-24(27(20-23)34-39(7,8)9)21-29(36-41(13,14)15)30(31-26)22-16-17-25(33-38(4,5)6)28(18-22)35-40(10,11)12/h16-20,29-30H,21H2,1-15H3/t29-,30+/m0/s1
InChIKeyQKMSLFRFGOTVEJ-XZWHSSHBSA-N
substructure TMS5
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)2,865.56
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%272af502a1-c5bb-493b-bdda-9b1d727dd30a%27)

Synonyms of Catechin (5TMS)

propertyvalue
ChemSpider ID20035793
PubChem CID526660
2 synonym(s)

Metabolite mapped to Catechin (5TMS)

metabolitestereoisomerisotopomer
Catechin(+)- ambient
Catechin(-)- ambient
EpicatechinDL- ambient
3 metabolite(s)

Reference spectra of Catechin (5TMS)

replicaentry datedetectionmethodspecies
15/12/2005 12:00:00 AM M[NIST] 
27/19/2007 11:16:30 AM VAR5Reference Substance
53/30/2011 4:52:37 PM Fiehn_GC_2010 
36/12/2003 12:00:00 AM M[2]Standard Addition
411/26/2004 12:00:00 AM M[FAME4090]Standard
5 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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