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CHEBI:80431 - Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside

Default Structure
ChEBI IDCHEBI:80431
ChEBI NamePetunidin-3-(p-coumaroyl)-rutinoside-5-glucoside
Stars
DownloadsMolfile
FormulaC43H49O23
Net Charge+1
Average Mass933.842
Monoisotopic Mass933.26591
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(O)c1O
InChIInChI=1S/C43H48O23/c1-16-39(66-29(48)8-5-17-3-6-19(45)7-4-17)35(54)38(57)41(60-16)59-15-28-32(51)34(53)37(56)43(65-28)63-26-13-21-23(61-40(26)18-9-22(47)30(49)25(10-18)58-2)11-20(46)12-24(21)62-42-36(55)33(52)31(50)27(14-44)64-42/h3-13,16,27-28,31-39,41-44,50-57H,14-15H2,1-2H3,(H3-,45,46,47,48,49)/p+1/t16-,27+,28+,31+,32+,33-,34-,35-,36+,37+,38+,39-,41+,42+,43+/m0/s1
InChIKeyBXEZTCOKOLHMKY-PJUZUSDESA-O
ChEBI Ontology
Outgoing Relation(s)
Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside (CHEBI:80431) is a anthocyanidin glycoside (CHEBI:71583)
Manual XrefsDatabases
C16295KEGG COMPOUND