input word = C00035642

Metabolite InformationStructural formula
Name Hexyl 2-methylbutanoate
Formula C11H22O2
Mw 186.16197995
CAS RN 10032-15-2
C_ID C00035642 ,
InChIKey YUECNVSODFDKOQ-UHFFFAOYNA-N
InChICode InChI=1S/C11H22O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h10H,4-9H2,1-3H3/t10-/m1/s1
SMILES CCCCCCOC(=O)[C@@H](CC)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCannabaceaeHumulus lupulus Ref.
PlantaeSolanaceaeCapsicum annuum Ref.
PlantaeSolanaceaeMandragora autumnalis Ref.
--Caffea sp. Ref.
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