input word = C00005605

Metabolite InformationStructural formula
Name Quercetin 3,3'-dimethyl ether 4'-glucoside
Formula C23H24O12
Mw 492.12677623
CAS RN 89648-74-8
C_ID C00005605 ,
InChIKey WUNUUGOHRCMFOC-CKRINVNJNA-N
InChICode InChI=1S/C23H24O12/c1-31-13-5-9(3-4-12(13)34-23-20(30)19(29)17(27)15(8-24)35-23)21-22(32-2)18(28)16-11(26)6-10(25)7-14(16)33-21/h3-7,15,17,19-20,23-27,29-30H,8H2,1-2H3/t15-,17-,19-,20-,23-/m1/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)OC)c1ccc(c(c1)OC)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
PlantaeTyphaceaeTypha latifolia Ref.
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