input word = C00005899

Metabolite InformationStructural formula
Name Kaempferol 3-(6''-p-coumarylglucoside)-4'-glucoside
Formula C36H36O18
Mw 756.19016435
CAS RN 87339-51-3
C_ID C00005899 ,
InChIKey GTTHRFWSXLOEPD-HEYWKVPQNA-N
InChICode InChI=1S/C36H36O18/c37-13-22-26(42)29(45)31(47)35(52-22)50-19-8-4-16(5-9-19)33-34(28(44)25-20(40)11-18(39)12-21(25)51-33)54-36-32(48)30(46)27(43)23(53-36)14-49-24(41)10-3-15-1-6-17(38)7-2-15/h1-12,22-23,26-27,29-32,35-40,42-43,45-48H,13-14H2/b10-3+/t22-,23-,26-,27-,29+,30+,31-,32+,35-,36+/m1/s1
SMILES O=C(/C=C/c1ccc(O)cc1)OCC1O[C@@H](Oc2c(-c3ccc(O[C@@H]4OC(CO)[C@@H](O)C(O)C4O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeCrambe tataria Ref.
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