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CHEBI:80474 - Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)

Default Structure
ChEBI IDCHEBI:80474
ChEBI NameDelphinidin 3-O-(6-caffeoyl-beta-D-glucoside)
Stars
DownloadsMolfile
FormulaC30H27O15
Net Charge+1
Average Mass627.531
Monoisotopic Mass627.13445
SMILESO=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C30H26O15/c31-14-8-17(33)15-10-22(29(43-21(15)9-14)13-6-19(35)25(38)20(36)7-13)44-30-28(41)27(40)26(39)23(45-30)11-42-24(37)4-2-12-1-3-16(32)18(34)5-12/h1-10,23,26-28,30,39-41H,11H2,(H6-,31,32,33,34,35,36,37,38)/p+1/t23-,26-,27+,28-,30-/m1/s1
InChIKeyCPESTIBYQUOXSA-LHRGPQAGSA-O
ChEBI Ontology
Outgoing Relation(s)
Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside) (CHEBI:80474) is a anthocyanidin glycoside (CHEBI:71583)
Manual XrefsDatabases
C16367KEGG COMPOUND