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CHEBI:80433 - Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)

ChEBI IDCHEBI:80433
ChEBI NamePelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)
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DownloadsMolfile
FormulaC30H27O13
Net Charge+1
Average Mass595.533
Monoisotopic Mass595.14462
SMILESO=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C30H26O13/c31-16-5-3-15(4-6-16)29-23(12-18-20(34)10-17(32)11-22(18)41-29)42-30-28(39)27(38)26(37)24(43-30)13-40-25(36)8-2-14-1-7-19(33)21(35)9-14/h1-12,24,26-28,30,37-39H,13H2,(H4-,31,32,33,34,35,36)/p+1/t24-,26-,27+,28-,30-/m1/s1
InChIKeyOUWGZZOPFVOIFO-SHPGVJHPSA-O
ChEBI Ontology
Outgoing Relation(s)
Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) (CHEBI:80433) is a anthocyanidin glycoside (CHEBI:71583)
Manual XrefsDatabases
C16297KEGG COMPOUND