input word = C00013783

Metabolite InformationStructural formula
Name Kaempferol 3-(6''-caffeoylglucosyl)-(1->4)-rhamnoside
Formula C36H36O18
Mw 756.19016435
CAS RN
C_ID C00013783 ,
InChIKey LVDRTCICIOGGBT-BBEKKFHJNA-N
InChICode InChI=1S/C36H36O18/c1-14-32(53-36-30(47)28(45)26(43)23(52-36)13-49-24(42)9-3-15-2-8-19(39)20(40)10-15)29(46)31(48)35(50-14)54-34-27(44)25-21(41)11-18(38)12-22(25)51-33(34)16-4-6-17(37)7-5-16/h2-12,14,23,26,28-32,35-41,43,45-48H,13H2,1H3/b9-3+/t14-,23+,26+,28-,29-,30+,31-,32-,35-,36-/m0/s1
SMILES c1c(ccc(c1)O)c1oc2c(c(=O)c1O[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)/C=C/c1cc(c(cc1)O)O)O)O)O)O)O)c(cc(c2)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeRorippa indica Ref.
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