FL7AACGL0122

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Upper classes : FL Flavonoid : FL7 Anthocyani(di)n : FL7A Anthocyani(di)n :  FL7AAC Cyanidin (170 pages) :  FL7AACGL Anthocyanin (3-Glucoside related) (132 pages)

IDs and Links
LipidBank	[1]
LipidMaps	[2]
CAS	865377-16-8
KEGG	{{{KEGG}}}
KNApSAcK	[3]
CDX file
MOL file	FL7AACGL0122.mol

Orychophragonus violet-blue anthocyanin 3
Structural Information
Systematic Name	5- [ [6-O- (Carboxyacetyl) -beta-D-glucopyranosyl] oxy] -2- (3,4-dihydroxyphenyl) -3- [ [2-O- [2-O- [ (2E) -3- [4- [ [6-O- [ (2E) -3- [4- (beta-D-glucopyranosyloxy) -3-hydroxyphenyl] -1-oxo-2-propenyl] -beta-D-glucopyranosyl] oxy] -3-hydroxyphenyl] -1-oxo-2-propenyl] -beta-D-xylopyranosyl] -6-O- [ (2E) -3- [4- (beta-D-glucopyranosyloxy) -3,5-dimethoxyphenyl] -1-oxo-2-propenyl] -beta-D-glucopyranosyl] oxy] -7-hydroxy-1-benzopyrylium
Common Name	Orychophragonus violet-blue anthocyanin 3 OVA 3 3- [ [2-O- [2-O- [3-Hydroxy-4- [ [6-O- [3-hydroxy-4- (beta-D-glucopyranosyloxy) cinnamoyl] -beta-D-glucopyranosyl] oxy] cinnamoyl] -beta-D-xylopyranosyl] -6-O- [3,5-dimethoxy-4- (beta-D-glucopyranosyloxy) cinnamoyl] -beta-D-glucopyranosyl] oxy] -5- [6-O- (carboxyacetyl) -beta-D-glucopyranosyloxy] -7-hydroxy-2- (3,4-dihydroxyphenyl) -1-benzopyrylium
Symbol
Formula	C82H93O48
Exact Mass	1845.4836298320001
Average Mass	1846.58702
SMILES	C(=CC(OC(C%12O)OC(C(C%12O)O)COc(c(O)%11)ccc(c%11)C=CC(=O)OC(C3OC(C(O)4)C(Oc(c9)c(c(c%10)cc(O)c(O)c%10)[o+1]c(c79)cc(O)cc7OC(O8)C(O)C(C(O)C8COC(=O)CC(O)=O)O)OC(COC(=O)C([H])=C([H])c(c6)cc(c(c(OC)6)OC(C(O)5)OC(C(O)C5O)CO)OC)C4O)C(C(O)CO3)O)=O)c(c2)cc(c(c2)OC(C(O)1)OC(C(O)C(O)1)CO)O
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
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Spectral Information
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IR Spectra
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Species Information

Species-Flavonoid Relationship Reported
Species ID Metabolite Name Reference Orychophragonus violaceus FL7AACGL0122 See above. Honda_T et al. 2005