FL7AAAGL0012

Revision as of 09:00, 25 July 2008

Pelargonidin-3-sophoroside-5-glucoside

Structural Information
Systematic Name	3- [ [ 2-O- (beta-D-Glucopyranosyl) -alpha-D-glucopyranosyl ] oxy ] -5- (beta-D-glucopyranosyloxy) -7-hydroxy-2- (4-hydroxyphenyl) -1-benzopyrylium
Common Name	Pelargonidin-3-sophoroside-5-glucoside Rubrobrassicin 3- [ [ 2-O- (beta-D-Glucopyranosyl) -alpha-D-glucopyranosyl ] oxy ] -5- (beta-D-glucopyranosyloxy) -7-hydroxy-2- (4-hydroxyphenyl) -1-benzopyrylium
Symbol
Formula	C33H41O20
Exact Mass	757.219118752
Average Mass	757.6666399999999
SMILES	`O(c(c24)cc(cc([o+1]c(c(O[C@@H](C(O[C@@H](O6)[C@H](O)[C@H](O)[C@@H](C6CO)O)5)O[C@@H]([C@H](O)C(O)5)CO)c4)c(c3)ccc(c3)O)2)O)[C@H](O1)[C@H]([C@H]([C@@H](O)C(CO)1)O)O`
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Reflactive Index
Solubility
Spectral Information
Mass Spectra
UV Spectra
IR Spectra
NMR Spectra
Chromatograms

Species-Flavonoid Relationship Reported

Species	ID	Metabolite Name	Reference
Broughtonia sp.	FL7AAAGL0012	See above.	Strack_D et al. 1980
Gladiolus gandavensis	FL7AAAGL0012	See above.	Strack_D et al. 1980
Papaver spp.	FL7AAAGL0012	See above.	Strack_D et al. 1980

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 {{Metabolite
-|SysName=3-[[2-O-(beta-D-Glucopyranosyl)-alpha-D-glucopyranosyl]oxy]-5-(beta-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium
+|SysName=3- [ [ 2-O- (beta-D-Glucopyranosyl) -alpha-D-glucopyranosyl ] oxy ] -5- (beta-D-glucopyranosyloxy) -7-hydroxy-2- (4-hydroxyphenyl) -1-benzopyrylium
-|Common Name=&&Pelargonidin-3-sophoroside-5-glucoside&&Rubrobrassicin&&3-[[2-O-(beta-D-Glucopyranosyl)-alpha-D-glucopyranosyl]oxy]-5-(beta-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium&&
+|Common Name=&&Pelargonidin-3-sophoroside-5-glucoside&&Rubrobrassicin&&3- [ [ 2-O- (beta-D-Glucopyranosyl) -alpha-D-glucopyranosyl ] oxy ] -5- (beta-D-glucopyranosyloxy) -7-hydroxy-2- (4-hydroxyphenyl) -1-benzopyrylium&&
 |CAS=75093-88-8
 |KNApSAcK=C00006647
 }}