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Details of Estriol (3TMS)

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Role Analyte
nameEstriol (3TMS)
MPIMP IDA290016
isotopomerambient
formulaC27H48O3Si3
molecular mass504.925
monoisotopic mass504.29113
InChIInChI=1S/C27H48O3Si3/c1-27-16-15-22-21-14-12-20(28-31(2,3)4)17-19(21)11-13-23(22)24(27)18-25(29-32(5,6)7)26(27)30-33(8,9)10/h12,14,17,22-26H,11,13,15-16,18H2,1-10H3/t22-,23-,24+,25-,26+,27+/m1/s1
InChIKeyMCKRDIGCTGOZEH-PJZCFIFPSA-N
substructure TMS3
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)2,907.78
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%27bb01789b-5ddb-476e-a49a-ff9b0593541f%27)

Synonyms of Estriol (3TMS)

propertyvalue
synonymB000342
synonymEstriol (3TMS)
2 synonym(s)

Metabolite mapped to Estriol (3TMS)

metabolitestereoisomerisotopomer
Estriol  ambient
1 metabolite(s)

Reference spectra of Estriol (3TMS)

replicaentry datedetectionmethodspecies
17/19/2007 11:16:30 AM VAR5Reference Substance
33/30/2011 4:52:37 PM Fiehn_GC_2010 
27/19/2007 11:16:30 AM MDN35Reference Substance
43/30/2011 4:52:37 PM Fiehn_GC_2010 
4 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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