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CHEBI:80432 - Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside

Default Structure
ChEBI IDCHEBI:80432
ChEBI NameMalvidin-3-(p-coumaroyl)-rutinoside-5-glucoside
Stars
DownloadsMolfile
FormulaC44H51O23
Net Charge+1
Average Mass947.869
Monoisotopic Mass947.28156
SMILESCOc1cc(-c2[o+]c3cc(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3cc2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](OC(=O)/C=C/c4ccc(O)cc4)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O
InChIInChI=1S/C44H50O23/c1-17-40(67-30(48)9-6-18-4-7-20(46)8-5-18)36(54)39(57)42(61-17)60-16-29-33(51)35(53)38(56)44(66-29)64-27-14-22-23(62-41(27)19-10-25(58-2)31(49)26(11-19)59-3)12-21(47)13-24(22)63-43-37(55)34(52)32(50)28(15-45)65-43/h4-14,17,28-29,32-40,42-45,50-57H,15-16H2,1-3H3,(H2-,46,47,48,49)/p+1/t17-,28+,29+,32+,33+,34-,35-,36-,37+,38+,39+,40-,42+,43+,44+/m0/s1
InChIKeyDGGWHUCHBQNSNH-OQRRKOMRSA-O
ChEBI Ontology
Outgoing Relation(s)
Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside (CHEBI:80432) is a anthocyanidin glycoside (CHEBI:71583)
Manual XrefsDatabases
C16296KEGG COMPOUND