input word = C00005897

Metabolite InformationStructural formula
Name Kaempferol 3-(2''-p-coumaryl-rhamnoside)-7-rhamnoside
Formula C36H36O16
Mw 724.20033511
CAS RN 145204-83-7
C_ID C00005897 ,
InChIKey FEEQRZQQJIFQAL-NYCFGYFANA-N
InChICode InChI=1S/C36H36O16/c1-15-26(41)29(44)31(46)35(47-15)49-21-13-22(39)25-23(14-21)50-32(18-6-10-20(38)11-7-18)33(28(25)43)52-36-34(30(45)27(42)16(2)48-36)51-24(40)12-5-17-3-8-19(37)9-4-17/h3-16,26-27,29-31,34-39,41-42,44-46H,1-2H3/b12-5+/t15-,16+,26+,27+,29-,30-,31+,34+,35+,36-/m1/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1OC(=O)/C=C/c1ccc(cc1)O)O)O)C)c1ccc(cc1)O)O)O[C@@H]1O[C@@H]([C@@H]([C@H]([C@@H]1O)O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePteridaceaeCheilanthes fragrans Ref.
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