CHEBI:80467 - Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)

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ChEBI Name Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)
ChEBI ID CHEBI:80467
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C36H37O18
Net Charge +1
Average Mass 757.66820
Monoisotopic Mass 757.19744
InChI InChI=1S/C36H36O18/c37-13-25-28(43)30(45)32(47)36(53-25)52-24-12-19-22(50-34(24)16-4-7-20(40)21(41)9-16)10-18(39)11-23(19)51-35-33(48)31(46)29(44)26(54-35)14-49-27(42)8-3-15-1-5-17(38)6-2-15/h1-12,25-26,28-33,35-37,43-48H,13-14H2,(H3-,38,39,40,41,42)/p+1/t25-,26-,28-,29-,30+,31+,32-,33-,35-,36-/m1/s1
InChIKey NHTJKRAGLGHCLR-AQAMAIGXSA-O
SMILES OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](COC(=O)\C=C\c5ccc(O)cc5)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O
ChEBI Ontology
Outgoing Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside) (CHEBI:80467) is a anthocyanidin glycoside (CHEBI:71583)
Manual Xref Database
C16350 KEGG COMPOUND
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