input word = C00006891

Metabolite InformationStructural formula
Name Delphinidin 3-robinobioside-5-(6-(E)-ferulylglucoside)
Formula C43H49O24
Mw 949.2613775
CAS RN 151677-01-9
C_ID C00006891 ,
InChIKey XSHPSKFSSTZIJP-UHFFFAOYNA-O
InChICode InChI=1S/C43H48O24/c1-15-30(49)34(53)37(56)41(62-15)61-14-28-33(52)36(55)39(58)43(67-28)65-26-12-19-23(63-40(26)17-8-21(46)31(50)22(47)9-17)10-18(44)11-24(19)64-42-38(57)35(54)32(51)27(66-42)13-60-29(48)6-4-16-3-5-20(45)25(7-16)59-2/h3-12,15,27-28,30,32-39,41-43,49,51-58H,13-14H2,1-2H3,(H4-,44,45,46,47,48,50)/p+1/t15-,27-,28+,30-,32-,33+,34-,35-,36-,37+,38-,39+,41+,42+,43+/m0/s1
SMILES COc1cc(/C=C/C(=O)OCC2OC(Oc3cc(O)cc4[o+]c(-c5cc(O)c(O)c(O)c5)c(OC5OC(COC6OC(C)C(O)C(O)C6O)C(O)C(O)C5O)cc34)C(O)C(O)C2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGentianaceaeEustoma grandiflorum Ref.
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