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CHEBI:71584 - cyanidin 3,7-di-O-β-D-glucoside

ChEBI IDCHEBI:71584
ChEBI Namecyanidin 3,7-di-O-β-D-glucoside
Stars
ASCII Namecyanidin 3,7-di-O-beta-D-glucoside
DefinitionAn anthocyanin cation that is cyanidin(1+) carrying two β-D-glucosyl residues at positions 3 and 7.
Last Modified14 January 2013
SubmitterSteve
DownloadsMolfile
FormulaC27H31O16
Net Charge+1
Average Mass611.529
Monoisotopic Mass611.16066
SMILESOC[C@H]1O[C@@H](Oc2cc(O)c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(-c4ccc(O)c(O)c4)[o+]c3c2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C27H30O16/c28-7-17-19(33)21(35)23(37)26(42-17)39-10-4-13(31)11-6-16(41-27-24(38)22(36)20(34)18(8-29)43-27)25(40-15(11)5-10)9-1-2-12(30)14(32)3-9/h1-6,17-24,26-29,33-38H,7-8H2,(H2-,30,31,32)/p+1/t17-,18-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1
InChIKeyULXBEUBSYSSVTP-ZOTFFYTFSA-O
ChEBI Ontology
Outgoing Relation(s)
cyanidin 3,7-di-O-β-D-glucoside (CHEBI:71584) has functional parent cyanidin cation (CHEBI:27843)
cyanidin 3,7-di-O-β-D-glucoside (CHEBI:71584) is a anthocyanin cation (CHEBI:35218)
cyanidin 3,7-di-O-β-D-glucoside (CHEBI:71584) is a β-D-glucoside (CHEBI:22798)
cyanidin 3,7-di-O-β-D-glucoside (CHEBI:71584) is conjugate acid of cyanidin 3,7-di-O-β-D-glucoside betaine (CHEBI:71513)
Incoming Relation(s)
cyanidin 3,7-di-O-β-D-glucoside betaine (CHEBI:71513) is conjugate base of cyanidin 3,7-di-O-β-D-glucoside (CHEBI:71584)
IUPAC Name 
2-(3,4-dihydroxyphenyl)-3-(β-D-glucopyranosyloxy)-5-hydroxychromenium-7-yl β-D-glucopyranoside
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