input word = C00005893

Metabolite InformationStructural formula
Name Kaempferol 3-glucoside-7-p-coumarylglucoside
Formula C36H36O18
Mw 756.19016435
CAS RN 80699-44-1
C_ID C00005893 ,
InChIKey OJTWEIFHVWJUKP-XCVCLJGONA-N
InChICode InChI=1S/C36H36O18/c37-13-22-26(42)29(45)32(48)36(52-22)54-34-28(44)25-20(40)11-19(12-21(25)51-33(34)16-4-8-18(39)9-5-16)50-35-31(47)30(46)27(43)23(53-35)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-/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)c1ccc(cc1)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)/C=C/c1ccc(cc1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAconitum noveboracense Ref.
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