charge
label: بار @fa

formula
label: فرمول @fa

inchi
label: اینچی @fa

inchikey
label: اینچی‌کی @fa

mass
label: جرم @fa

monoisotopicmass
label: جرم تک‌ایزوتوپی @fa

smiles
label: اسمایلٓ @fa

subset
label: زیرمجموعه @fa

synonym EXACT
label: مترادف دقیق @fa

ketone
type: Concept
narrower: 5-methylheptan-3-one
preferred label: کتون @fa

5-methylheptan-3-one
type: Concept
charge: 0
formula: C8H16O
inchi: InChI=1S/C8H16O/c1-4-7(3)6-8(9)5-2/h7H,4-6H2,1-3H3
inchikey: PSBKJPTZCVYXSD-UHFFFAOYSA-N
mass: 128.215
monoisotopicmass: 128.12012
smiles: O=C(CC(CC)C)CC
subset: 2_STAR
synonym EXACT: 5-methylheptan-3-one
broader: ketone
preferred label: 5 متیل هپتان 3 یک @fa