input word = C00014771

Metabolite InformationStructural formula
Name Cyanidin 3-[2-(6-p-coumarylglucosyl)-6-caffeoylglucoside]-5-glucoside
Formula C51H53O26
Mw 1081.28250687
CAS RN 611232-15-6
C_ID C00014771 ,
InChIKey XOWPCENJGHKMBA-SHCBIMKLNA-O
InChICode InChI=1S/C51H52O26/c52-18-34-39(61)42(64)45(67)49(74-34)72-32-16-25(54)15-31-26(32)17-33(47(71-31)23-6-10-28(56)30(58)14-23)73-51-48(44(66)41(63)36(76-51)20-70-38(60)12-5-22-3-9-27(55)29(57)13-22)77-50-46(68)43(65)40(62)35(75-50)19-69-37(59)11-4-21-1-7-24(53)8-2-21/h1-17,34-36,39-46,48-52,61-68H,18-20H2,(H5-,53,54,55,56,57,58,59,60)/p+1/t34-,35+,36-,39+,40+,41+,42-,43-,44-,45+,46+,48-,49+,50-,51+/m0/s1
SMILES c1(cc(c2c(c1)[o+]c(c(c2)O[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)COC(=O)/C=C/c1cc(c(cc1)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)/C=C/c1ccc(cc1)O)O)O)O)c1cc(c(cc1)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
PlantaeConvolvulaceaeIpomoea asarifolia Ref.
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