charge
label: بار @fa

formula
label: فرمول @fa

has_functional_parent
label: والد-عملکردی دارد @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

benzyl alcohol
type: Concept
preferred label: بنزیل الکل @fa

(3-methylphenyl)methyl acetate
type: Concept
charge: 0
formula: C10H12O2
has_functional_parent: benzyl alcohol
inchi: InChI=1S/C10H12O2/c1-8-4-3-5-10(6-8)7-12-9(2)11/h3-6H,7H2,1-2H3
inchikey: QPTQLFCBVFKFLY-UHFFFAOYSA-N
mass: 164.204
monoisotopicmass: 164.08373
smiles: O(CC=1C=C(C=CC1)C)C(=O)C
subset: 2_STAR
synonym EXACT: (3-methylphenyl)methyl acetate
broader: carboxylic ester
preferred label: (3 متیل فنیل) متیل استات @fa

carboxylic ester
type: Concept
narrower: (3-methylphenyl)methyl acetate
preferred label: استر کربوکسیلیک @fa