input word = C00004930

Metabolite InformationStructural formula
Name Quercetin 4'-isobutyrate
Formula C19H16O8
Mw 372.08451749
CAS RN 102607-62-5
C_ID C00004930 ,
InChIKey RTGAIXBQQQCKJM-UHFFFAOYSA-N
InChICode InChI=1S/C19H16O8/c1-8(2)19(25)27-13-4-3-9(5-11(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 CC(C)C(=O)Oc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeTraversia baccharoides Ref.
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