ChemotionJSON2schemas

#!/bin/bash
wget -O- https://www.chemotion-repository.net/api/v1/public/molecule.json?id=6338 |\
jq "$(cat <<EOF
{ "@context": "https://schema.org/", 
  "@type": "MolecularEntity", 
  "dct:conformsTo": { "http://purl.org/dc/terms/conformsTo": {
    "@id": "https://bioschemas.org/profiles/MolecularEntity/0.5-RELEASE", 
    "@type": "CreativeWork" }
  }, 
  "@id": .molecule.tag.taggable_data.chemotion.doi, 
  name: .molecule.iupac_name, 
  url: "http://chemotion-repository.net/home/publications/molecules/\(.molecule.id)", 
  identifier: "chemotion ID ?", 
  iupacName:.molecule.iupac_name, 
  smiles: .molecule.cano_smiles, 
  inChI: .molecule.inchistring, 
  inChIKey: .molecule.inchikey, 
  molecularFormula: .molecule.sum_formular, 
  molecularWeight: { value: .molecule.molecular_weight }
}
EOF
)"