input word = C00061216

Metabolite InformationStructural formula
Name 3-Methylbutyl-2-methylbutyrate
Formula C10H20O2
Mw 172.14632988
CAS RN 27625-35-0
C_ID C00061216
InChIKey VGIRHYHLQKDEPP-UHFFFAOYSA-N
InChICode InChI=1S/C10H20O2/c1-5-9(4)10(11)12-7-6-8(2)3/h8-9H,5-7H2,1-4H3
SMILES CCC(C)C(=O)OCCC(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeFoeniculum vulgare Ref.
PlantaeAsteraceaeArtemisia annua Ref.
PlantaeCannabaceaeHumulus lupulus Ref.
PlantaeSolanaceaeCapsicum annuum Ref.
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OrganismFoeniculum vulgare
Referencehttps://doi.org/10.1016/j.bse.2010.01.009