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CHEBI:138864 - Delphinidin 3,7-di-O-β-D-glucoside

Default Structure
ChEBI IDCHEBI:138864
ChEBI NameDelphinidin 3,7-di-O-β-D-glucoside
Stars
ASCII NameDelphinidin 3,7-di-O-beta-D-glucoside
Last Modified26 October 2017
Submittermwilliams
DownloadsMolfile
FormulaC27H31O17
Net Charge+1
Average Mass627.528
Monoisotopic Mass627.15558
SMILESOC[C@H]1O[C@@H](Oc2cc(O)c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(-c4cc(O)c(O)c(O)c4)[o+]c3c2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)40-9-3-11(30)10-5-15(42-27-24(39)22(37)20(35)17(7-29)44-27)25(41-14(10)4-9)8-1-12(31)18(33)13(32)2-8/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1
InChIKeyJVROXMCODLRLLV-LCENJUANSA-O
ChEBI Ontology
Outgoing Relation(s)
Delphinidin 3,7-di-O-β-D-glucoside (CHEBI:138864) is a anthocyanidin glycoside (CHEBI:71583)
Manual XrefsDatabases
C20496KEGG COMPOUND