FL3FAAGS0073

Revision as of 09:00, 13 May 2008

Apigenin 7-glucuronide-4'-(2"'-E-p-coumaroylglucuronosyl)-(1->2)-glucuronide

Structural Information
Systematic Name	4-[7-(beta-D-Glucopyranuronosyloxy)-5-hydroxy-4-oxo-4H-1-benzopyran-2-yl]phenyl 2-O-[2-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranuronosyl]-beta-D-glucopyranosiduronic acid
Common Name	Apigenin 7-glucuronide-4'-(2"'-E-p-coumaroylglucuronosyl)-(1->2)-glucuronide 4-[7-(beta-D-Glucopyranuronosyloxy)-5-hydroxy-4-oxo-4H-1-benzopyran-2-yl]phenyl 2-O-[2-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranuronosyl]-beta-D-glucopyranosiduronic acid
Symbol
Formula	C42H40O25
Exact Mass	944.1858668299999
Average Mass	944.752
SMILES	`OC(=O)C(C1O)OC(OC(C7O)C(OC(C7O)C(O)=O)Oc(c3)ccc(C(O6)=CC(c(c56)c(cc(c5)OC(C(O)4)OC(C(O)C4O)C(O)=O)O)=O)c3)C(OC(=O)C=Cc(c2)ccc(c2)O)C1O`
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
Medicago sativa	FL3FAAGS0073	See above.	Stochmal_A et al. 2001

@@ Line 1: / Line 1: @@
 {{Metabolite
-|Sysname=4-[7-(beta-D-Glucopyranuronosyloxy)-5-hydroxy-4-oxo-4H-1-benzopyran-2-yl]phenyl 2-O-[2-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranuronosyl]-beta-D-glucopyranosiduronic acid
+|SysName=4-[7-(beta-D-Glucopyranuronosyloxy)-5-hydroxy-4-oxo-4H-1-benzopyran-2-yl]phenyl 2-O-[2-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranuronosyl]-beta-D-glucopyranosiduronic acid
 |Common Name=&&Apigenin 7-glucuronide-4'-(2"'-E-p-coumaroylglucuronosyl)-(1->2)-glucuronide&&4-[7-(beta-D-Glucopyranuronosyloxy)-5-hydroxy-4-oxo-4H-1-benzopyran-2-yl]phenyl 2-O-[2-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranuronosyl]-beta-D-glucopyranosiduronic acid&&
 |CAS=365971-57-9
 |KNApSAcK=C00013623
 }}