input word = C00014077

Metabolite InformationStructural formula
Name Isovitexin 7-O-(6'''-O-E-p-coumaroyl)glucoside
Formula C36H36O17
Mw 740.19524973
CAS RN 496788-49-9
C_ID C00014077 ,
InChIKey NUFCZKSATPHTRO-PFIOPYGQNA-N
InChICode InChI=1S/C36H36O17/c37-13-23-28(42)31(45)33(47)35(51-23)27-22(12-21-26(30(27)44)19(40)11-20(50-21)16-4-8-18(39)9-5-16)52-36-34(48)32(46)29(43)24(53-36)14-49-25(41)10-3-15-1-6-17(38)7-2-15/h1-12,23-24,28-29,31-39,42-48H,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)COC(=O)/C=C/c1ccc(cc1)O)O)O)O)[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)c1ccc(cc1)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePoaceaeHordeum vulgare Ref.
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