input word = C00005912

Metabolite InformationStructural formula
Name Kaempferol 3-(2'''-(E)-p-coumarylsophoroside)-7-glucoside
Kaempferol 3-[2'''-(E)-p-coumarylsophoroside]-7-glucoside
Formula C42H46O23
Mw 918.24298778
CAS RN 151649-64-8
C_ID C00005912 ,
InChIKey CSGSYHAZGDVQGA-FSPBRIMQNA-N
InChICode InChI=1S/C42H46O23/c43-13-23-28(50)32(54)35(57)40(60-23)58-20-11-21(48)27-22(12-20)59-36(17-4-8-19(47)9-5-17)37(31(27)53)64-42-39(34(56)30(52)25(15-45)62-42)65-41-38(33(55)29(51)24(14-44)61-41)63-26(49)10-3-16-1-6-18(46)7-2-16/h1-12,23-25,28-30,32-35,38-48,50-52,54-57H,13-15H2/b10-3+/t23-,24+,25+,28+,29+,30+,32+,33-,34-,35+,38+,39+,40+,41-,42-/m0/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)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)CO)O)O)OC(=O)/C=C/c1ccc(cc1)O)c1ccc(cc1)O)O)O[C@@H]1O[C@H]([C@H]([C@H]([C@H]1O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeBrassica oleracea Ref.
PlantaeCruciferaeBrassica rapa Ref.
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