input word = C00005261

Metabolite InformationStructural formula
Name Kaempferol 3-galactosyl-(1->6)-glucoside-7-rhamnosyl-(1->3)-rhamnoside
Formula C39H50O24
Mw 902.26920253
CAS RN 81944-31-2
C_ID C00005261 ,
InChIKey OVHQWOXKMOVDJP-HVDFELGMNA-N
InChICode InChI=1S/C39H50O24/c1-11-21(43)26(48)30(52)37(56-11)62-34-22(44)12(2)57-39(32(34)54)58-15-7-16(42)20-17(8-15)59-33(13-3-5-14(41)6-4-13)35(25(20)47)63-38-31(53)28(50)24(46)19(61-38)10-55-36-29(51)27(49)23(45)18(9-40)60-36/h3-8,11-12,18-19,21-24,26-32,34,36-46,48-54H,9-10H2,1-2H3/t11-,12-,18+,19+,21-,22-,23-,24+,26+,27-,28-,29+,30+,31+,32-,34+,36+,37-,38-,39-/m0/s1
SMILES C[C@@H]1O[C@@H](OC2C(O)[C@H](Oc3cc(O)c4c(=O)c(O[C@@H]5OC(CO[C@@H]6OC(CO)[C@H](O)[C@H](O)C6O)[C@@H](O)C(O)C5O)c(-c5ccc(O)cc5)oc4c3)O[C@@H](C)[C@@H]2O)C(O)C(O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAcacia trachyphloia Ref.
PlantaeFabaceaeAcacia verniciflua Ref.
PlantaeFabaceaeMelilotus alba Ref.
zoom in