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Details of Rosmarinic acid (5TMS)

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Role Analyte
nameRosmarinic acid (5TMS)
MPIMP IDA340009
isotopomerambient
formulaC33H56O8Si5
molecular mass721.221
monoisotopic mass720.28216
InChIInChI=1S/C33H56O8Si5/c1-42(2,3)37-27-19-16-25(22-29(27)39-44(7,8)9)18-21-32(34)36-31(33(35)41-46(13,14)15)24-26-17-20-28(38-43(4,5)6)30(23-26)40-45(10,11)12/h16-23,31H,24H2,1-15H3/b21-18+/t31-/m1/s1
InChIKeyTUNDBMHTRNCQHX-YLVMBGSXSA-N
substructure TMS5
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)3,400.96
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%272133f409-3c2a-4eaa-a30e-8a8d531fad25%27)

Synonyms of Rosmarinic acid (5TMS)

propertyvalue
synonymB000977
synonymRosmarinic acid (5TMS)
2 synonym(s)

Metabolite mapped to Rosmarinic acid (5TMS)

Reference spectra of Rosmarinic acid (5TMS)

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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