input word = C00014083

Metabolite InformationStructural formula
Name Isovitexin 2''-O-(6'''-(E)-feruloyl)glucoside 4'-O-glucoside
Formula C43H48O23
Mw 932.25863784
CAS RN 372113-57-0
C_ID C00014083 ,
InChIKey NKQNBGQKLCZRCJ-GPMQNNABNA-N
InChICode InChI=1S/C43H48O23/c1-59-23-10-16(2-8-19(23)46)3-9-28(49)60-15-27-33(52)36(55)39(58)43(65-27)66-41-37(56)32(51)25(13-44)63-40(41)30-21(48)12-24-29(34(30)53)20(47)11-22(62-24)17-4-6-18(7-5-17)61-42-38(57)35(54)31(50)26(14-45)64-42/h2-12,25-27,31-33,35-46,48,50-58H,13-15H2,1H3/b9-3+/t25-,26+,27+,31+,32+,33+,35-,36-,37-,38+,39+,40-,41+,42+,43-/m0/s1
SMILES c1(oc2c(c(=O)c1)c(c(c(c2)O)[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)/C=C/c1cc(c(cc1)O)OC)O)O)O)O)c1ccc(cc1)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeCucumis sativus Ref.
PlantaeGeraniaceaePelargonium reniforme Ref.
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