FL7AACGL0121

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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	865377-15-7
KEGG	{{{KEGG}}}
KNApSAcK	[3]
CDX file
MOL file	FL7AACGL0121.mol

Orychophragonus violet-blue anthocyanin 2
Structural Information
Systematic Name	2- (3,4-Dihydroxyphenyl) -5- (beta-D-glucopyranosyloxy) -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-methoxyphenyl] -1-oxo-2-propenyl] -beta-D-glucopyranosyl] oxy] -7-hydroxy-1-benzopyrylium
Common Name	Orychophragonus violet-blue anthocyanin 2 OVA 2 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-methoxy-4- (beta-D-glucopyranosyloxy) cinnamoyl] -beta-D-glucopyranosyl] oxy] -5- (beta-D-glucopyranosyloxy) -7-hydroxy-2- (3,4-dihydroxyphenyl) -1-benzopyrylium
Symbol
Formula	C78H89O44
Exact Mass	1729.472671216
Average Mass	1730.51486
SMILES	Oc(c1)c(OCC(C(O)%12)OC(C(O)C%12O)OC(=O)C=Cc(c%10)cc(O)c(OC(O%11)C(O)C(C(O)C%11CO)O)c%10)ccc1C=CC(OC(C2OC(C(O)3)C(Oc(c8c(c9)cc(O)c(O)c9)cc(c6[o+1]8)c(OC(O7)C(C(O)C(C7CO)O)O)cc(c6)O)OC(COC(C(=C(c(c5)cc(OC)c(c5)OC(C(O)4)OC(C(O)C(O)4)CO)[H])[H])=O)C3O)C(O)C(CO2)O)=O
Physicochemical Information
Melting Point
Boiling Point
Density
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Reflactive Index
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Spectral Information
Mass Spectra
UV Spectra
IR Spectra
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Species Information

Species-Flavonoid Relationship Reported
Species ID Metabolite Name Reference Orychophragonus violaceus FL7AACGL0121 See above. Honda_T et al. 2005