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CHEBI:138860 - cyanidin 5-O-β-D-glucoside 3-O-β-D-sambubioside

ChEBI IDCHEBI:138860
ChEBI Namecyanidin 5-O-β-D-glucoside 3-O-β-D-sambubioside
Stars
ASCII Namecyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside
Last Modified26 October 2017
Submittermwilliams
DownloadsMolfile
FormulaC32H39O20
Net Charge+1
Average Mass743.644
Monoisotopic Mass743.20292
SMILESOC[C@H]1O[C@@H](Oc2cc(O)cc3[o+]c(-c4ccc(O)c(O)c4)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)cc23)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C32H38O20/c33-7-19-22(40)24(42)27(45)31(50-19)48-17-5-11(35)4-16-12(17)6-18(28(47-16)10-1-2-13(36)14(37)3-10)49-32-29(25(43)23(41)20(8-34)51-32)52-30-26(44)21(39)15(38)9-46-30/h1-6,15,19-27,29-34,38-45H,7-9H2,(H2-,35,36,37)/p+1/t15-,19-,20-,21+,22-,23-,24+,25+,26-,27-,29-,30+,31-,32-/m1/s1
InChIKeyOLBLWNPOURNBCY-MRBLLYQQSA-O
ChEBI Ontology
Outgoing Relation(s)
cyanidin 5-O-β-D-glucoside 3-O-β-D-sambubioside (CHEBI:138860) is a anthocyanidin glycoside (CHEBI:71583)
Manual XrefsDatabases
C20493KEGG COMPOUND