input word = C00005496

Metabolite InformationStructural formula
Name Quercetin 3-methyl ether 4'-glucoside
Formula C22H22O12
Mw 478.11112617
CAS RN 22255-19-2
C_ID C00005496 ,
InChIKey PCBCGLHWIGZJQI-DLEDTVARNA-N
InChICode InChI=1S/C22H22O12/c1-31-21-17(28)15-11(26)5-9(24)6-13(15)32-20(21)8-2-3-12(10(25)4-8)33-22-19(30)18(29)16(27)14(7-23)34-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16+,18-,19-,22-/m1/s1
SMILES COc1c(-c2ccc(O[C@@H]3O[C@H](CO)C(O)C(O)[C@H]3O)c(O)c2)oc2cc(O)cc(O)c2c1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAchyrocline alata Ref.
PlantaeCactaceaeNeochilenia spp. Ref.
zoom in