input word = C00004929

Metabolite InformationStructural formula
Name Quercetin 3'-isobutyrate
Formula C19H16O8
Mw 372.08451749
CAS RN 102607-69-2
C_ID C00004929 ,
InChIKey CDEJOLJALIACLC-UHFFFAOYSA-N
InChICode InChI=1S/C19H16O8/c1-8(2)19(25)27-13-5-9(3-4-11(13)21)18-17(24)16(23)15-12(22)6-10(20)7-14(15)26-18/h3-8,20-22,24H,1-2H3
SMILES c1(cc(c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)OC(=O)C(C)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeTraversia baccharoides Ref.
zoom in