input word = C00006717

Metabolite InformationStructural formula
Name Delphinidin 3-rutinoside-5-glucoside
Formula C33H41O21
Mw 773.21403338
CAS RN 29837-24-9
C_ID C00006717 ,
InChIKey BMDKCVRDDZIEMR-WJTMRUGJNA-O
InChICode InChI=1S/C33H40O21/c1-9-20(38)24(42)27(45)31(49-9)48-8-19-23(41)26(44)29(47)33(54-19)52-17-6-12-15(50-30(17)10-2-13(36)21(39)14(37)3-10)4-11(35)5-16(12)51-32-28(46)25(43)22(40)18(7-34)53-32/h2-6,9,18-20,22-29,31-34,38,40-47H,7-8H2,1H3,(H3-,35,36,37,39)/p+1/t9-,18+,19-,20+,22-,23-,24+,25+,26-,27-,28-,29-,31-,32-,33-/m1/s1
SMILES c1(cc(c2c(c1)[o+]c(c(c2)O[C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)C)O)O)O)O)O)O)c1cc(c(c(c1)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeVicia villosa Ref.
PlantaeRanunculaceaeConsolida orientalis Ref.
PlantaeSolanaceaePetunia reitzii Ref.
PlantaeSolanaceaeSolanum melongena Ref.
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OrganismSolanum melongena
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 1,Anthocyanins

Tanchev,Phytochem.,9,(1970),1681

Sulyok,Studies in Org.Chem.(Amsterdam),23,(1986),261