FL3FAAGS0073

IDs and Links
LipidBank	[1]
LipidMaps	[2]
CAS	365971-57-9
KEGG	{{{KEGG}}}
KNApSAcK	C00013623
CDX file
MOL file	FL3FAAGS0073.mol

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 Information

Species-Flavonoid Relationship Reported
Species ID Metabolite Name Reference Medicago sativa FL3FAAGS0073 See above. Stochmal_A et al. 2001