input word = C00005909

Metabolite InformationStructural formula
Name Kaempferol 3-(4''-(E)-p-coumarylrobinobioside)-7-rhamnoside
Formula C42H46O21
Mw 886.25315854
CAS RN 151676-93-6
C_ID C00005909 ,
InChIKey WVHDCAPOGJJVCD-KNZGCWFANA-N
InChICode InChI=1S/C42H46O21/c1-16-28(47)31(50)34(53)40(57-16)56-15-25-38(62-26(46)12-5-18-3-8-20(43)9-4-18)33(52)36(55)42(61-25)63-39-30(49)27-23(45)13-22(59-41-35(54)32(51)29(48)17(2)58-41)14-24(27)60-37(39)19-6-10-21(44)11-7-19/h3-14,16-17,25,28-29,31-36,38,40-45,47-48,50-55H,15H2,1-2H3/b12-5+/t16-,17+,25-,28-,29-,31-,32-,33-,34+,35-,36+,38-,40+,41-,42-/m0/s1
SMILES CC1O[C@@H](OCC2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O[C@@H]5OC(C)[C@H](O)[C@H](O)C5O)cc(O)c4c3=O)C(O)C(O)[C@H]2OC(=O)/C=C/c2ccc(O)cc2)C(O)[C@@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGentianaceaeEustoma grandiflorum Ref.
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