CHEBI:80476 - Cyanidin 3-(6-p-caffeoyl)glucoside

ChEBI IDCHEBI:80476
ChEBI NameCyanidin 3-(6-p-caffeoyl)glucoside
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DownloadsMolfile
FormulaC30H27O14
Net Charge+1
Average Mass611.532
Monoisotopic Mass611.13953
SMILESO=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C30H26O14/c31-15-9-19(34)16-11-23(29(42-22(16)10-15)14-3-5-18(33)21(36)8-14)43-30-28(40)27(39)26(38)24(44-30)12-41-25(37)6-2-13-1-4-17(32)20(35)7-13/h1-11,24,26-28,30,38-40H,12H2,(H5-,31,32,33,34,35,36,37)/p+1/t24-,26-,27+,28-,30-/m1/s1
InChIKeyRTVUMLBJQCCROY-SHPGVJHPSA-O
ChEBI Ontology
Outgoing Relation(s)
Cyanidin 3-(6-p-caffeoyl)glucoside (CHEBI:80476) is a anthocyanidin glycoside (CHEBI:71583)
Manual XrefsDatabases
C16369KEGG COMPOUND
C00006801KNApSAcK