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Details of Salicin (5TMS)

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Role	Analyte
name	Salicin (5TMS)
MPIMP ID	A254008
isotopomer	ambient
formula	C27H56O7Si5
molecular mass	633.157
monoisotopic mass	632.28724
InChI	InChI=1S/C27H56O7Si5/c1-35(2,3)28-20-21-18-16-17-19-22(21)29-26-24(32-37(7,8)9)23(31-36(4,5)6)25(33-38(10,11)12)27(30-26)34-39(13,14)15/h16-19,23-27H,20H2,1-15H3/t23-,24-,25+,26-,27-/m1/s1
InChIKey	HOAYRPOIWBAMRD-IURCNINISA-N
substructure TMS	5
substructure TBS	0
substructure H3ON	0
substructure CH3O	0
retention index (VAR5 method, n-alkanes C10–C36)	2,514.36
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%27ef3b5a7e-2cd4-4881-b09d-8ceb955c59ba%27)

Synonyms of Salicin (5TMS)

property	value
synonym	2-(Hydroxymethyl)phenyl-beta-D-glucopyranoside (5TMS)
synonym	D-(-)-Salicin (5TMS)
2 synonym(s)

Metabolite mapped to Salicin (5TMS)

metabolite	stereoisomer	isotopomer
Salicin	D-, beta-	ambient
1 metabolite(s)

Reference spectra of Salicin (5TMS)

replica	entry date	method	species
1	7/19/2007 11:16:30 AM	VAR5	Reference Substance
6	8/28/2012 5:51:49 PM	MassBank GC 2010 Tsujimoto
2	7/19/2007 11:16:30 AM	VAR5	Reference Substance
3	3/15/2005 12:00:00 AM	M[6]	Reference Substance
4	9/16/2004 12:00:00 AM	M[2]	Reference Substance
5	7/19/2007 11:16:30 AM	MDN35	Reference Substance
6 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 12/19/2014 by Kopka J., Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany
modified by users	Hummel J., Kopka J.

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