input word = C00014080

Metabolite InformationStructural formula
Name Isovitexin 2''-O-(6'''-(E)-p-coumaroyl)glucoside
Formula C36H36O17
Mw 740.19524973
CAS RN 220948-76-5
C_ID C00014080 ,
InChIKey RECLDAGWBWVMCW-YOLZHWETNA-N
InChICode InChI=1S/C36H36O17/c37-13-23-28(43)32(47)35(53-36-33(48)31(46)29(44)24(52-36)14-49-25(42)10-3-15-1-6-17(38)7-2-15)34(51-23)27-20(41)12-22-26(30(27)45)19(40)11-21(50-22)16-4-8-18(39)9-5-16/h1-12,23-24,28-29,31-39,41,43-48H,13-14H2/b10-3+/t23-,24-,28-,29-,31+,32+,33-,34+,35+,36+/m1/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/c1ccc(cc1)O)O)O)O)O)c1ccc(cc1)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeCucumis sativus Ref.
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