EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:138820 - Delphinidin 5-O-β-D-glucoside 3-O-β-D-sambubioside

Default Structure
ChEBI IDCHEBI:138820
ChEBI NameDelphinidin 5-O-β-D-glucoside 3-O-β-D-sambubioside
Stars
ASCII NameDelphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside
Last Modified25 October 2017
Submittermwilliams
DownloadsMolfile
FormulaC32H39O21
Net Charge+1
Average Mass759.643
Monoisotopic Mass759.19783
SMILESOC[C@H]1O[C@@H](Oc2cc(O)cc3[o+]c(-c4cc(O)c(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/C32H38O21/c33-6-18-22(41)24(43)27(46)31(51-18)49-16-4-10(35)3-15-11(16)5-17(28(48-15)9-1-12(36)20(39)13(37)2-9)50-32-29(25(44)23(42)19(7-34)52-32)53-30-26(45)21(40)14(38)8-47-30/h1-5,14,18-19,21-27,29-34,38,40-46H,6-8H2,(H3-,35,36,37,39)/p+1/t14-,18-,19-,21+,22-,23-,24+,25+,26-,27-,29-,30+,31-,32-/m1/s1
InChIKeySVKUZBZQDMYGEP-AHKATGCTSA-O
ChEBI Ontology
Outgoing Relation(s)
Delphinidin 5-O-β-D-glucoside 3-O-β-D-sambubioside (CHEBI:138820) is a anthocyanidin glycoside (CHEBI:71583)
Manual XrefsDatabases
C20494KEGG COMPOUND