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CHEBI:80430 - Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside

Default Structure
ChEBI IDCHEBI:80430
ChEBI NameDelphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside
Stars
DownloadsMolfile
FormulaC42H47O23
Net Charge+1
Average Mass919.815
Monoisotopic Mass919.25026
SMILESC[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc(O)cc4[o+]c3-c3cc(O)c(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1OC(=O)/C=C/c1ccc(O)cc1
InChIInChI=1S/C42H46O23/c1-15-38(65-28(48)7-4-16-2-5-18(44)6-3-16)34(54)37(57)40(59-15)58-14-27-31(51)33(53)36(56)42(64-27)62-25-12-20-23(60-39(25)17-8-21(46)29(49)22(47)9-17)10-19(45)11-24(20)61-41-35(55)32(52)30(50)26(13-43)63-41/h2-12,15,26-27,30-38,40-43,50-57H,13-14H2,1H3,(H4-,44,45,46,47,48,49)/p+1/t15-,26+,27+,30+,31+,32-,33-,34-,35+,36+,37+,38-,40+,41+,42+/m0/s1
InChIKeyYLRJRFOZRJMCAN-HELXGBBCSA-O
ChEBI Ontology
Outgoing Relation(s)
Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside (CHEBI:80430) is a anthocyanidin glycoside (CHEBI:71583)
Manual XrefsDatabases
C16294KEGG COMPOUND