input word = C00050474

Metabolite InformationStructural formula
Name Isobutylacetic acid
Isocaproic acid
Formula C6H12O2
Mw 116.08372963
CAS RN 646-07-1
C_ID C00050474
InChIKey FGKJLKRYENPLQH-UHFFFAOYSA-N
InChICode InChI=1S/C6H12O2/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)
SMILES CC(C)CCC(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeNicotiana tabacum Ref.
--FOOD SAKE Ref.
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