input word = C00014815

Metabolite InformationStructural formula
Name Delphinidin 3-rutinoside-7-(6-p-coumaroylglucoside)-3'-glucoside
Formula C48H57O28
Mw 1081.30363624
CAS RN
C_ID C00014815 ,
InChIKey KFBCGNAHMMZNFV-SKHMYSKXNA-O
InChICode InChI=1S/C48H56O28/c1-16-31(54)36(59)40(63)45(69-16)68-15-29-35(58)39(62)43(66)48(76-29)73-26-12-21-22(51)10-20(70-46-41(64)38(61)34(57)28(75-46)14-67-30(53)7-4-17-2-5-19(50)6-3-17)11-24(21)71-44(26)18-8-23(52)32(55)25(9-18)72-47-42(65)37(60)33(56)27(13-49)74-47/h2-12,16,27-29,31,33-43,45-49,54,56-66H,13-15H2,1H3,(H3-,50,51,52,53,55)/p+1/t16-,27+,28-,29+,31-,33+,34+,35+,36-,37-,38-,39-,40-,41+,42+,43+,45+,46+,47+,48+/m0/s1
SMILES CC1O[C@@H](OCC2O[C@@H](Oc3cc4c(O)cc(O[C@@H]5OC(COC(=O)/C=C/c6ccc(O)cc6)[C@@H](O)[C@H](O)C5O)cc4[o+]c3-c3cc(O)c(O)c(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)c3)C(O)[C@@H](O)[C@@H]2O)[C@@H](O)C(O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRhamnaceaeCeanothus papillosus Ref.
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