input word = C00005878

Metabolite InformationStructural formula
Name Kaempferol 3-(4''-(E)-p-coumarylrobinobioside)
Formula C36H36O17
Mw 740.19524973
CAS RN 115713-36-5
C_ID C00005878 ,
InChIKey ZTNSLUBWMOQPPH-LLNTVGCHNA-N
InChICode InChI=1S/C36H36O17/c1-15-26(42)28(44)30(46)35(49-15)48-14-23-33(52-24(41)11-4-16-2-7-18(37)8-3-16)29(45)31(47)36(51-23)53-34-27(43)25-21(40)12-20(39)13-22(25)50-32(34)17-5-9-19(38)10-6-17/h2-13,15,23,26,28-31,33,35-40,42,44-47H,14H2,1H3/b11-4+/t15-,23-,26+,28+,29+,30-,31-,33+,35-,36+/m1/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O[C@H]1[C@@H]([C@@H]([C@H]([C@H](O1)CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)C)O)O)O)OC(=O)/C=C/c1ccc(cc1)O)O)O)c1ccc(cc1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLonganiaceaeStrychnos variabilis Ref.
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