FL7AACGL0099

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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	651731-54-3
KEGG	{{{KEGG}}}
KNApSAcK	C00011108
CDX file
MOL file	FL7AACGL0099.mol

Cyanidin 3-O- [ 2-O- (6-O-E-caffeoyl-beta-D-glucopyanosyl) ] -{6-O- [ 4-O- (6-O-E-3,5-dihydroxycinnamoyl-beta-D-glucopyranosyl) -E-caffeoyl ] -beta-D-glucopyranosyl}-5-O-beta-D-glucopyranoside
Structural Information
Systematic Name	2- (3,4-Dihydroxyphenyl) -7-hydroxy-5- (beta-D-glucopyranosyloxy) -3- [ 2-O- [ 6-O- (3,4-dihydroxycinnamoyl) -beta-D-glucopyranosyl ] -6-O- [ 3-hydroxy-4- [ 6-O- (3,5-dihydroxycinnamoyl) -beta-D-glucopyranosyloxy ] cinnamoyl ] -beta-D-glucopyranosyloxy ] -1-benzopyrylium
Common Name	Cyanidin 3-O- [ 2-O- (6-O-E-caffeoyl-beta-D-glucopyanosyl) ] -{6-O- [ 4-O- (6-O-E-3,5-dihydroxycinnamoyl-beta-D-glucopyranosyl) -E-caffeoyl ] -beta-D-glucopyranosyl}-5-O-beta-D-glucopyranoside 2- (3,4-Dihydroxyphenyl) -7-hydroxy-5- (beta-D-glucopyranosyloxy) -3- [ 2-O- [ 6-O- (3,4-dihydroxycinnamoyl) -beta-D-glucopyranosyl ] -6-O- [ 3-hydroxy-4- [ 6-O- (3,5-dihydroxycinnamoyl) -beta-D-glucopyranosyloxy ] cinnamoyl ] -beta-D-glucopyranosyloxy ] -1-benzopyrylium
Symbol
Formula	C66H69O35
Exact Mass	1421.3619389780001
Average Mass	1422.23306
SMILES	Oc(c1)c(ccc1c(c(OC(O7)C(C(O)C(O)C7COC(=O)C=Cc(c%10)cc(O)c(c%10)OC(O8)C(O)C(C(C8COC(=O)C=Cc(c9)cc(O)cc(O)9)O)O)OC(O5)C(O)C(C(O)C(COC(=O)C=Cc(c6)ccc(O)c(O)6)5)O)2)[o+1]c(c3)c(c(OC(O4)C(C(O)C(C4CO)O)O)cc3O)c2)O
Physicochemical Information
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Boiling Point
Density
Optical Rotation
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Spectral Information
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Species Information

Species-Flavonoid Relationship Reported
Species ID Metabolite Name Reference Ipomoea asarifolia FL7AACGL0099 See above. Pale_E et al. 2003