FL7AAAGL0076

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食品情報

新規入力

Upper classes : FL Flavonoid : FL7 Anthocyani(di)n : FL7A Anthocyani(di)n :  FL7AAA Pelargonidin (96 pages) :  FL7AAAGL Anthocyanin (3-Glucoside related) (75 pages)

IDs and Links
LipidBank	[1]
LipidMaps	[2]
CAS	270062-82-3
KEGG	{{{KEGG}}}
KNApSAcK	C00014802
CDX file
MOL file	FL7AAAGL0076.mol

6' (2) -ester with 3,7-bis (beta-D-glucopyranosyloxy) -2- [4- (beta-D-glucopyranosyloxy) phenyl] -5-hydroxy-4H-1-benzopyran-4-one
Structural Information
Systematic Name	7- [ [6-O- (3-Carboxy-1-oxopropyl) -beta-D-glucopyranosyl] oxy] -5-hydroxy-3- [ [6-O- [3- (4-hydroxyphenyl) -1-oxo-2-propenyl] -beta-D-glucopyranosyl] oxy] -2- (3,4,5-trihydroxyphenyl) -1-benzopyrylium
Common Name	6' (2) -ester with 3,7-bis (beta-D-glucopyranosyloxy) -2- [4- (beta-D-glucopyranosyloxy) phenyl] -5-hydroxy-4H-1-benzopyran-4-one (6' ' ' -O- (Delphinidin 3-O- (6' ' -O-p-coumaroyl-glucoside) 7-O-glucosyl) ) (6' ' ' ' -O- (kaempferol 3,7-di-O-glucoside, 4' -O-glucosyl) ) succinate
Symbol
Formula	C73H79O42
Exact Mass	1627.404591652
Average Mass	1628.3831599999999
SMILES	C(C(OC(C(O)%12)OC(C(O)C%12O)CO)=3)(=O)c(c(OC3c(c%11)ccc(c%11)OC(C%10O)OC(C(C%10O)O)COC(=O)CCC(=O)OCC(C9O)OC(C(C9O)O)Oc(c8)cc(c(c8O)4)[o+1]c(c(c7)cc(O)c(O)c(O)7)c(OC(C6O)OC(C(C(O)6)O)COC(C([H])=C([H])c(c5)ccc(c5)O)=O)c4)1)c(cc(OC(O2)C(C(C(O)C2CO)O)O)c1)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 Information

Species-Flavonoid Relationship Reported
Species ID Metabolite Name Reference Agapanthus praecox FL7AAAGL0076 See above. Bloor_SJ et al. 2000