input word = C00005313

Metabolite InformationStructural formula
Name 6-Hydroxykaempferol 3-methyl ether 7-glucoside
Formula C22H22O12
Mw 478.11112617
CAS RN 76060-26-9
C_ID C00005313 ,
InChIKey DKJSFZFROHHPOX-NRTGUHAZNA-N
InChICode InChI=1S/C22H22O12/c1-31-21-17(28)13-10(32-20(21)8-2-4-9(24)5-3-8)6-11(14(25)16(13)27)33-22-19(30)18(29)15(26)12(7-23)34-22/h2-6,12,15,18-19,22-27,29-30H,7H2,1H3/t12-,15-,18+,19-,22-/m1/s1
SMILES c1(c(c(c2c(c1)oc(c(c2=O)OC)c1ccc(cc1)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeNeurolaena lobata Ref.
PlantaeAsteraceaeNeurolaena oaxacana Ref.
zoom in