input word = C00035117

Metabolite InformationStructural formula
Name 2-Methylpropyl 2-methylpropanoate
Isobutyl isobutyrate
isobutyl isobutanoate
Formula C8H16O2
Mw 144.11502975
CAS RN 97-85-8
C_ID C00035117 ,
InChIKey HLIYSUDZNWPHKZ-UHFFFAOYNA-N
InChICode InChI=1S/C8H16O2/c1-5-7(4)10-8(9)6(2)3/h6-7H,5H2,1-4H3/t7-/m1/s1
SMILES CCC(C)OC(=O)C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaEnterobacteriaceaeEscherichia coli Ref.
PlantaeCannabaceaeHumulus lupulus Ref.
PlantaeMyrtaceaeAcca sellowiana Ref.
PlantaeMyrtaceaeMyrtus communis Ref.
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OrganismHumulus lupulus
ReferenceYan, D. et al., Food Chem., 275, (2019), 15-23.