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

5-methyl-5-hexenoic acid
type: Concept
charge: 0
formula: C7H12O2
inchi: InChI=1S/C7H12O2/c1-6(2)4-3-5-7(8)9/h1,3-5H2,2H3,(H,8,9)
inchikey: HCLVGAZUVMWYLF-UHFFFAOYSA-N
mass: 128.171
monoisotopicmass: 128.08373
smiles: OC(=O)CCCC(C)=C
subset: 2_STAR
synonym EXACT: 5-methylhex-5-enoic acid
broader: medium-chain fatty acid
preferred label: 5 متیل هگزنوئیک اسید @fa

medium-chain fatty acid
type: Concept
narrower: 5-methyl-5-hexenoic acid
preferred label: اسید چرب با زنجیره متوسط @fa