input word = C00055628

Metabolite InformationStructural formula
Name 2-Methylbutyl 2-methylbutanoate
Butyric acid 2-methyl-, 2-methylbutyl ester
Formula C10H20O2
Mw 172.14632988
CAS RN 2445-78-5
C_ID C00055628
InChIKey PVYFCGRBIREQLL-UHFFFAOYSA-N
InChICode InChI=1S/C10H20O2/c1-5-8(3)7-12-10(11)9(4)6-2/h8-9H,5-7H2,1-4H3
SMILES CCC(C)COC(=O)C(C)CC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeArtemisia annua Ref.
PlantaeCannabaceaeHumulus lupulus Ref.
PlantaeEricaceaeVaccinium vitis-idaea Ref.
PlantaeMyrtaceaeAcca sellowiana Ref.
zoom in



OrganismArtemisia annua
Referencehttps://doi.org/10.1016/j.chroma.2006.08.080