FL7AAAGL0075

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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	270062-81-2
KEGG	{{{KEGG}}}
KNApSAcK	C00014801
CDX file
MOL file	FL7AAAGL0075.mol

6' (2) -ester with 3- (beta-D-glucopyranosyloxy) -2- [4- (beta-D-glucopyranosyloxy) phenyl] -5-hydroxy-7- (beta-D-xylopyranosyloxy) -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- (beta-D-glucopyranosyloxy) -2- [4- (beta-D-glucopyranosyloxy) phenyl] -5-hydroxy-7- (beta-D-xylopyranosyloxy) -4H-1-benzopyran-4-one (6' ' ' -O- (Delphinidin 3-O- (6' ' -O-p-coumaroyl-glucoside) 7-O-glucosyl) ) (6' ' ' ' -O- (kaempferol 3-O-glucoside, 7-O-xyloside, 4' -O-glucosyl) ) succinate
Symbol
Formula	C72H77O41
Exact Mass	1597.394026966
Average Mass	1598.35718
SMILES	O=C(OCC(O7)C(O)C(O)C(O)C7Oc(c%12)ccc(c%12)C(O9)=C(C(=O)c(c(O)%10)c9cc(OC(C(O)%11)OCC(O)C%11O)c%10)OC(C8O)OC(C(C8O)O)CO)CCC(OCC(O1)C(C(C(C1Oc(c6)cc(O)c(c62)cc(OC(C5O)OC(C(C(O)5)O)COC(C([H])=C([H])c(c4)ccc(c4)O)=O)c(c(c3)cc(O)c(O)c(O)3)[o+1]2)O)O)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 Information

Species-Flavonoid Relationship Reported
Species ID Metabolite Name Reference Agapanthus praecox FL7AAAGL0075 See above. Bloor_SJ et al. 2000