input word = C00005260

Metabolite InformationStructural formula
Name Kaempferol 3-(2G-glucosylrutinoside)-7-glucoside
Formula C39H50O25
Mw 918.26411715
CAS RN 131559-50-7
C_ID C00005260 ,
InChIKey VQNNVXIDBZIDCO-MVZAYOLJNA-N
InChICode InChI=1S/C39H50O25/c1-11-21(44)26(49)30(53)36(57-11)56-10-19-24(47)29(52)35(64-38-32(55)28(51)23(46)18(9-41)61-38)39(62-19)63-34-25(48)20-15(43)6-14(58-37-31(54)27(50)22(45)17(8-40)60-37)7-16(20)59-33(34)12-2-4-13(42)5-3-12/h2-7,11,17-19,21-24,26-32,35-47,49-55H,8-10H2,1H3/t11-,17-,18-,19-,21+,22-,23-,24-,26+,27+,28+,29+,30-,31-,32-,35+,36-,37-,38+,39+/m1/s1
SMILES CC1O[C@@H](OCC2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O[C@@H]5OC(CO)[C@@H](O)[C@H](O)C5O)cc(O)c4c3=O)C(O[C@@H]3OC(CO)[C@@H](O)C(O)[C@H]3O)C(O)[C@@H]2O)C(O)[C@@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHostaceaeHosta ventricosa Ref.
zoom in