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Details of Quinic acid, 4-caffeoyl-, cis- (6TMS)

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Role Analyte
nameQuinic acid, 4-caffeoyl-, cis- (6TMS)
MPIMP IDA301001
isotopomerambient
formulaC34H66O9Si6
molecular mass787.396
monoisotopic mass786.33225
InChIInChI=1S/C34H66O9Si6/c1-44(2,3)38-27-21-19-26(23-28(27)39-45(4,5)6)20-22-31(35)37-32-29(40-46(7,8)9)24-34(43-49(16,17)18,33(36)42-48(13,14)15)25-30(32)41-47(10,11)12/h19-23,29-30,32H,24-25H2,1-18H3/b22-20-/t29-,30-,32-,34+/m0/s1
InChIKeyTVNYJEUSYBSSPM-YIPVUSJWSA-N
substructure TMS6
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)2,991.58
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%27c2090e0f-4228-4cf4-b69d-bfd38006e856%27)

Synonyms of Quinic acid, 4-caffeoyl-, cis- (6TMS)

Metabolite mapped to Quinic acid, 4-caffeoyl-, cis- (6TMS)

Reference spectra of Quinic acid, 4-caffeoyl-, cis- (6TMS)

replicaentry datedetectionmethodspecies
54/14/2010 3:06:38 PM VAR5Reference Substance
35/1/2001 12:00:00 AM M[EIGTMS]Standard
49/1/2001 12:00:00 AM M[2]Standard Addition
3 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 Kopka J., Hummel J.
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