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Details of Nivalenol (4TMS)

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Role Analyte
nameNivalenol (4TMS)
MPIMP IDA244006
isotopomerambient
formulaC27H52O7Si4
molecular mass601.040
monoisotopic mass600.27901
InChIInChI=1S/C27H52O7Si4/c1-18-15-19-26(16-30-35(3,4)5,22(20(18)28)33-37(9,10)11)25(2)23(34-38(12,13)14)21(32-36(6,7)8)24(31-19)27(25)17-29-27/h15,19,21-24H,16-17H2,1-14H3/t19-,21-,22-,23-,24?,25-,26-,27+/m1/s1
InChIKeyNANWFWRYLOMGSX-ZKQAMEMJSA-N
substructure TMS4
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)2,446.55
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%2772ef0309-cda2-49d5-ba34-4e7ac4808f8f%27)

Synonyms of Nivalenol (4TMS)

propertyvalue
synonymB000755
synonymNivalenol (4TMS)
2 synonym(s)

Metabolite mapped to Nivalenol (4TMS)

metabolitestereoisomerisotopomer
Nivalenol  ambient
1 metabolite(s)

Reference spectra of Nivalenol (4TMS)

replicaentry datedetectionmethodspecies
17/19/2007 11:16:30 AM MDN35Reference Substance
27/19/2007 11:16:30 AM VAR5Reference Substance
2 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 8/9/2011 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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