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 O=C(/C=C/c1ccc(O)cc1)OCC1O[C@@H](Oc2cc3oc(-c4ccc(O)cc4)cc(=O)c3c(O)c2[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)C(O)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePoaceaeHordeum vulgare Ref.
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