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 O=C(/C=C/c1ccc(O)cc1)OC1C(O)[C@H](O)C(CO)O[C@H]1OC1[C@H](Oc2c(-c3ccc(O)cc3)oc3cc(O[C@@H]4O[C@@H](CO)[C@@H](O)C(O)C4O)cc(O)c3c2=O)OC(CO)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeBrassica oleracea Ref.
PlantaeCruciferaeBrassica rapa Ref.
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