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 COc1cc(/C=C/C(=O)OCC2O[C@@H](OC3[C@@H](O)[C@H](O)C(CO)O[C@H]3c3c(O)cc4oc(-c5ccc(O[C@@H]6OC(CO)[C@@H](O)[C@H](O)C6O)cc5)cc(=O)c4c3O)C(O)[C@@H](O)[C@@H]2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeCucumis sativus Ref.
PlantaeGeraniaceaePelargonium reniforme Ref.
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OrganismCucumis sativus
ReferenceAbou-Zaid, Phytochem.,58,(2001),167