input word = C00053589

Metabolite InformationStructural formula
Name Octyl butyrate
Formula C12H24O2
Mw 200.17763001
CAS RN 110-39-4
C_ID C00053589
InChIKey PWLNAUNEAKQYLH-UHFFFAOYSA-N
InChICode InChI=1S/C12H24O2/c1-3-5-6-7-8-9-11-14-12(13)10-4-2/h3-11H2,1-2H3
SMILES O=C(OCCCCCCCC)CCC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeMandragora autumnalis Ref.
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