input word = C00005312

Metabolite InformationStructural formula
Name 6-Hydroxykaempferol 3-methyl ether 6-glucoside
Formula C22H22O12
Mw 478.11112617
CAS RN 76060-28-1
C_ID C00005312 ,
InChIKey RCCHIJJQDUZNBN-KOZNWNIJNA-N
InChICode InChI=1S/C22H22O12/c1-31-21-16(28)13-11(32-19(21)8-2-4-9(24)5-3-8)6-10(25)20(15(13)27)34-22-18(30)17(29)14(26)12(7-23)33-22/h2-6,12,14,17-18,22-27,29-30H,7H2,1H3/t12-,14-,17+,18-,22+/m1/s1
SMILES COc1c(-c2ccc(O)cc2)oc2cc(O)c(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)c(O)c2c1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeNeurolaena oaxacana Ref.
PlantaeAsteraceaePulicaria dysenterica Ref.
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