rete
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Select
Caffeine's full chemistry card
Label
Formula
Mass
+2
caffeine
C8H10N4O2
194.194
…
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PREFIX rdfs: <http://www.w3.org/2000/01/rdf-schema#> PREFIX chemrof: <https://w3id.org/chemrof/> PREFIX obo: <http://purl.obolibrary.org/obo/> SELECT ?label ?formula ?mass ?smiles ?inchikey WHERE { obo:CHEBI_27732 rdfs:label ?label ; chemrof:generalized_empirical_formula ?formula ; chemrof:mass ?mass ; chemrof:smiles_string ?smiles ; chemrof:inchi_key_string ?inchikey . }
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