input word = C00055940

Metabolite InformationStructural formula
Name Isobutyl isovalerate
Formula C9H18O2
Mw 158.13067982
CAS RN 589-59-3
C_ID C00055940
InChIKey KEBDNKNVCHQIJU-UHFFFAOYSA-N
InChICode InChI=1S/C9H18O2/c1-7(2)5-9(10)11-6-8(3)4/h7-8H,5-6H2,1-4H3
SMILES CC(C)COC(=O)CC(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCentaurea atropurpurea Ref.
PlantaeAsteraceaeCentaurea orientalis Ref.
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OrganismCentaurea orientalis
ReferenceNovakovic, J. et al., Chem. Biodiv., 13, (2016), 1221-1229.