input word = C00014797

Metabolite InformationStructural formula
Name Delphinidin 3-[6-(4-(caffeoylrhamnosyl)glucoside]-5-glucoside
Formula C42H47O24
Mw 935.24572743
CAS RN 232617-19-5
C_ID C00014797 ,
InChIKey IKDOTTITLSOPAR-SGCQSDPMNA-O
InChICode InChI=1S/C42H46O24/c1-14-38(66-28(49)5-3-15-2-4-19(45)20(46)6-15)34(55)37(58)40(60-14)59-13-27-31(52)33(54)36(57)42(65-27)63-25-11-18-23(61-39(25)16-7-21(47)29(50)22(48)8-16)9-17(44)10-24(18)62-41-35(56)32(53)30(51)26(12-43)64-41/h2-11,14,26-27,30-38,40-43,51-58H,12-13H2,1H3,(H5-,44,45,46,47,48,49,50)/p+1/t14-,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/c1cc(c(cc1)O)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
PlantaeSolanaceaePetunia occidentalis Ref.
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