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 c1(cc(c2c(c1)oc(c(c2=O)OC)c1ccc(c(c1)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@H](O1)CO)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAchyrocline alata Ref.
PlantaeCactaceaeNeochilenia spp. Ref.
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