input word = C00006893

Metabolite InformationStructural formula
Name Violanin
Delphinidin 3-[6-(4-(E)-p-coumarylrhamnosyl)glucoside]-5-glucoside
Formula C42H47O23
Mw 919.25081281
CAS RN 28463-30-1,108266-61-1
C_ID C00006893 ,
InChIKey YLRJRFOZRJMCAN-UHFFFAOYNA-O
InChICode InChI=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
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)OC(=O)/C=C/c1ccc(cc1)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
PlantaeIridaceaeIris tingitana Ref.
PlantaeSolanaceaePetunia x hybrida Ref.
PlantaeSolanaceaeSolanum melongena Ref.
PlantaeSolanaceaeSolanum tuberosum Ref.
PlantaeViolaceaeViola tricolor Ref.
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