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CHEBI:71661 - anthocyanidin 3-glucoside 5-[(6-O-4-hydroxycinnamoyl)glucoside]

ChEBI IDCHEBI:71661
ChEBI Nameanthocyanidin 3-glucoside 5-[(6-O-4-hydroxycinnamoyl)glucoside]
Stars
ASCII Nameanthocyanidin 3-glucoside 5-[(6-O-4-hydroxycinnamoyl)glucoside]
DefinitionAn anthocyanidin glucoside in which a single D-glucosyl residue is attached at position 3 together with an additional 6-O-(4-hydroxycinnamoyl)-D-glucosyl residue attached at position 5 (R groups may be H).
Last Modified10 June 2014
SubmitterKAX
DownloadsMolfile
FormulaC36H35O17R2
Net Charge+1
Average Mass (excl. R groups)739.654
Monoisotopic Mass (excl. R groups)739.18742
SMILES*c1cc(-c2[o+]c3cc(O)cc(OC4O[C@H](COC(=O)/C=C/c5ccc(O)cc5)[C@@H](O)[C@H](O)[C@H]4O)c3cc2OC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(*)c1O
ChEBI Ontology
Outgoing Relation(s)
anthocyanidin 3-glucoside 5-[(6-O-4-hydroxycinnamoyl)glucoside] (CHEBI:71661) is a anthocyanidin glucoside (CHEBI:22569)
anthocyanidin 3-glucoside 5-[(6-O-4-hydroxycinnamoyl)glucoside] (CHEBI:71661) is conjugate acid of anthocyanidin 3-glucoside 5-[(6-O-4-hydroxycinnamoyl)glucoside] betaine (CHEBI:77943)
Incoming Relation(s)
anthocyanidin 3-glucoside 5-[(6-O-4-hydroxycinnamoyl)glucoside] betaine (CHEBI:77943) is conjugate base of anthocyanidin 3-glucoside 5-[(6-O-4-hydroxycinnamoyl)glucoside] (CHEBI:71661)
Citations