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Details of Homogentisic acid (3TMS)

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Role Analyte
nameHomogentisic acid (3TMS)
MPIMP IDA182016
isotopomerambient
formulaC17H32O4Si3
molecular mass384.690
monoisotopic mass384.16084
InChIInChI=1S/C17H32O4Si3/c1-22(2,3)19-15-10-11-16(20-23(4,5)6)14(12-15)13-17(18)21-24(7,8)9/h10-12H,13H2,1-9H3
InChIKeyNLTJSNRUCPSKFR-UHFFFAOYSA-N
substructure TMS3
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)1,828.85
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%27c86c611e-fa9e-4076-b7df-1cb0072b7550%27)

Synonyms of Homogentisic acid (3TMS)

propertyvalue
ChemSpider ID455002
PubChem CID521612
synonymB000531
synonymHomogentisic acid (3TMS)
4 synonym(s)

Metabolite mapped to Homogentisic acid (3TMS)

Reference spectra of Homogentisic acid (3TMS)

replicaentry datedetectionmethodspecies
311/3/2010 4:22:02 PM Schomburg_GC_2010 
17/19/2007 11:16:30 AM VAR5Reference Substance
66/5/2013 12:39:00 PM MRI_2013 
58/28/2012 5:51:49 PM MassBank GC 2010 Tsujimoto 
27/19/2007 11:16:30 AM MDN35Reference Substance
43/30/2011 4:52:37 PM Fiehn_GC_2010 
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 8/11/2011 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 03/01/2017 © 2008-2014 Golm Metabolome Database - All rights reserved
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