input word = C00004928

Metabolite InformationStructural formula
Name Quercetin 3-isobutyrate
Formula C19H16O8
Mw 372.08451749
CAS RN 102607-66-9
C_ID C00004928 ,
InChIKey FDCJZTPSXKQIGE-UHFFFAOYSA-N
InChICode InChI=1S/C19H16O8/c1-8(2)19(25)27-18-16(24)15-13(23)6-10(20)7-14(15)26-17(18)9-3-4-11(21)12(22)5-9/h3-8,20-23H,1-2H3
SMILES c1(cc(c2c(c1)oc(c(c2=O)OC(=O)C(C)C)c1ccc(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeTraversia baccharoides Ref.
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