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 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[C@H]1[C@H]([C@H]([C@H]([C@H](O1)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGentianaceaeEustoma grandiflorum Ref.
zoom in



OrganismEustoma grandiflorum
ReferenceHarborne, The Handbook of Natural Flavonoids, 1, (1999), 297.Flavonol O-glycosides

Asen,Phytochem.,25,(1986),2509

Markham,Phytochem.,34,(1993),679