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Details of Stigmasterol (1TMS)

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Role Analyte
nameStigmasterol (1TMS)
MPIMP IDA332001
isotopomerambient
formulaC32H56OSi
molecular mass484.873
monoisotopic mass484.41004
InChIInChI=1S/C32H56OSi/c1-10-24(22(2)3)12-11-23(4)28-15-16-29-27-14-13-25-21-26(33-34(7,8)9)17-19-31(25,5)30(27)18-20-32(28,29)6/h11-13,22-24,26-30H,10,14-21H2,1-9H3/b12-11+/t23-,24?,26+,27+,28-,29+,30+,31+,32-/m1/s1
InChIKeySZLWSWKRZSAHBC-FFAYPKLWSA-N
substructure TMS1
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)3,319.29
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%270f3ef972-040c-4a92-98e3-030e72346b8b%27)

Synonyms of Stigmasterol (1TMS)

propertyvalue
ChemSpider ID4519290
PubChem CID5367819
2 synonym(s)

Metabolite mapped to Stigmasterol (1TMS)

metabolitestereoisomerisotopomer
Stigmasterol(3.beta.,22E)- ambient
1 metabolite(s)

Reference spectra of Stigmasterol (1TMS)

replicaentry datedetectionmethodspecies
17/19/2007 11:16:30 AM MDN35Reference Substance
23/15/2005 12:00:00 AM M[6]Reference Substance
36/1/2003 12:00:00 AM M[2]Kigelia africana (Lam.) Benth.
183/30/2011 4:52:37 PM Fiehn_GC_2010 
45/1/2003 12:00:00 AM M[2]Newbouldia laevis (P. Beauv.) Seem. ex Bureau
512/1/2002 12:00:00 AM M[2]Cucurbita pepo
611/26/2004 12:00:00 AM M[FAME4090]Standard
75/12/2005 12:00:00 AM M[NIST] 
85/1/2001 12:00:00 AM M[EIGTMS]Standard
97/19/2007 11:16:30 AM VAR5Reference Substance
18 spectrum(a)
    of 2    
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.
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service last updated 31/08/2021 © 2008-2014 Golm Metabolome Database - All rights reserved
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