input word = C00004931

Metabolite InformationStructural formula
Name Quercetin 3,3'-dimethyl ether 4'-(2-methylbutyrate)
Formula C22H22O8
Mw 414.13146768
CAS RN 78516-74-2
C_ID C00004931 ,
InChIKey GJXSHGNJOOZNFH-UHFFFAOYNA-N
InChICode InChI=1S/C22H22O8/c1-5-11(2)22(26)30-15-7-6-12(8-16(15)27-3)20-21(28-4)19(25)18-14(24)9-13(23)10-17(18)29-20/h6-11,23-24H,5H2,1-4H3/t11-/m0/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)OC)c1ccc(c(c1)OC)OC(=O)[C@H](CC)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeGutierrezia dracunculoides Ref.
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