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Details of Quercetin (5TMS)

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Role Analyte
nameQuercetin (5TMS)
MPIMP IDA319004
isotopomerambient
formulaC30H50O7Si5
molecular mass663.142
monoisotopic mass662.24029
InChIInChI=1S/C30H50O7Si5/c1-38(2,3)33-22-19-25-27(26(20-22)36-41(10,11)12)28(31)30(37-42(13,14)15)29(32-25)21-16-17-23(34-39(4,5)6)24(18-21)35-40(7,8)9/h16-20H,1-15H3
InChIKeyVISLTJDFZRIFEA-UHFFFAOYSA-N
substructure TMS5
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)3,172.15
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%27996782d2-2ff2-4a57-aa83-ec294d8c1a81%27)

Synonyms of Quercetin (5TMS)

propertyvalue
ChemSpider ID461703
PubChem CID529973
2 synonym(s)

Metabolite mapped to Quercetin (5TMS)

metabolitestereoisomerisotopomer
Quercetin  ambient
1 metabolite(s)

Reference spectra of Quercetin (5TMS)

replicaentry datedetectionmethodspecies
25/12/2005 12:00:00 AM M[NIST] 
45/1/2003 12:00:00 AM M[2]Standard
57/19/2007 11:16:30 AM MDN35Reference Substance
71/25/2005 12:00:00 AM M[MOR] 
97/19/2007 11:16:30 AM VAR5Reference Substance
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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