input word = C00005249

Metabolite InformationStructural formula
Name Kaempferol 3-glucoside-7-gentiobioside
Formula C33H40O21
Mw 772.20620834
CAS RN 60778-01-0
C_ID C00005249 ,
InChIKey HLPZWKGCSQDNGN-XFCPZHLENA-N
InChICode InChI=1S/C33H40O21/c34-7-15-19(38)23(42)26(45)31(51-15)48-9-17-21(40)25(44)27(46)32(53-17)49-12-5-13(37)18-14(6-12)50-29(10-1-3-11(36)4-2-10)30(22(18)41)54-33-28(47)24(43)20(39)16(8-35)52-33/h1-6,15-17,19-21,23-28,31-40,42-47H,7-9H2/t15-,16-,17+,19+,20+,21+,23-,24-,25-,26+,27-,28+,31+,32+,33-/m0/s1
SMILES O=c1c(O[C@@H]2OC(CO)[C@@H](O)C(O)C2O)c(-c2ccc(O)cc2)oc2cc(O[C@@H]3OC(CO[C@@H]4OC(CO)[C@@H](O)C(O)[C@H]4O)[C@@H](O)[C@H](O)C3O)cc(O)c12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeNerisyrenia camporum Ref.
PlantaeCruciferaeNerisyrenia linearifolia Ref.
zoom in



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

Phytochem.,15,(1976),1087