input word = C00053668

Metabolite InformationStructural formula
Name Pentyl isobutanoate
Pentyl isobutyrate
Formula C9H18O2
Mw 158.13067982
CAS RN 2445-72-9
C_ID C00053668
InChIKey UYGGIIOLYXRSQY-UHFFFAOYSA-N
InChICode InChI=1S/C9H18O2/c1-4-5-6-7-11-9(10)8(2)3/h8H,4-7H2,1-3H3
SMILES CCCCCOC(=O)C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnacardiaceaeMangifera indica Ref.
PlantaeCannabaceaeHumulus lupulus Ref.
PlantaeSolanaceaeMandragora autumnalis Ref.
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OrganismHumulus lupulus
ReferenceYan, D. et al., Food Chem., 275, (2019), 15-23.