pubchem2wikidata

pubchem2wikidata.py

import pubchempy as pcp
cid = 44584134
name = "cannabisin D"

compound = pcp.Compound.from_cid(cid)

ref = "|S248|Q278487"
quickstatements = (
    
    "CREATE\n"
    f'LAST|Len|"{name}"\n'
    'LAST|Den|"chemical compound"\n'
    f'LAST|P31|Q11173{ref}\n'
    f'LAST|P233|"{compound.canonical_smiles}"{ref}\n'
    f'LAST|P234|"{compound.inchi}"{ref}\n'
    f'LAST|P235|"{compound.inchikey}"{ref}\n'
    f'LAST|P662|"{cid}"{ref}\n'
    f'LAST|P2017|"{compound.isomeric_smiles}"{ref}\n'
    f'LAST|P2067|{compound.exact_mass}U483261{ref}'

)

for synonym in compound.synonyms:
  quickstatements += "\n" +     f'LAST|Aen|"{synonym}"'

print(quickstatements)