rete
playground
Construct
A molecule's chemistry card (graph)
Subject
Predicate
Object
CHEBI_27732
label
caffeine
CHEBI_27732
generalized_empirical…
C8H10N4O2
CHEBI_27732
inchi_key_string
RYYVLZVUVIJVGH-UHFFFA…
CHEBI_27732
smiles_string
Cn1c(=O)c2c(ncn2C)n(C…
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The query
PREFIX rdfs: <http://www.w3.org/2000/01/rdf-schema#> PREFIX chemrof: <https://w3id.org/chemrof/> PREFIX obo: <http://purl.obolibrary.org/obo/> CONSTRUCT { obo:CHEBI_27732 rdfs:label ?l ; chemrof:generalized_empirical_formula ?f ; chemrof:smiles_string ?s ; chemrof:inchi_key_string ?k } WHERE { obo:CHEBI_27732 rdfs:label ?l ; chemrof:generalized_empirical_formula ?f ; chemrof:smiles_string ?s ; chemrof:inchi_key_string ?k }
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