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CHEBI:80428 - Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside

Default Structure
ChEBI IDCHEBI:80428
ChEBI NameCyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside
Stars
DownloadsMolfile
FormulaC42H47O22
Net Charge+1
Average Mass903.816
Monoisotopic Mass903.25535
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-c3ccc(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/C42H46O22/c1-16-38(64-29(48)9-4-17-2-6-19(44)7-3-17)34(53)37(56)40(58-16)57-15-28-31(50)33(52)36(55)42(63-28)61-26-13-21-24(59-39(26)18-5-8-22(46)23(47)10-18)11-20(45)12-25(21)60-41-35(54)32(51)30(49)27(14-43)62-41/h2-13,16,27-28,30-38,40-43,49-56H,14-15H2,1H3,(H3-,44,45,46,47,48)/p+1/t16-,27+,28+,30+,31+,32-,33-,34-,35+,36+,37+,38-,40+,41+,42+/m0/s1
InChIKeyXSOXQXPLSCSJPY-DHHQULHESA-O
ChEBI Ontology
Outgoing Relation(s)
Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside (CHEBI:80428) is a anthocyanidin glycoside (CHEBI:71583)
Manual XrefsDatabases
C16292KEGG COMPOUND