<?xml version="1.0" encoding="UTF-8"?> <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:obo_purl="http://purl.obolibrary.org/obo/" xmlns:owl="http://www.w3.org/2002/07/owl#" xmlns:rdfs="http://www.w3.org/2000/01/rdf-schema#" xmlns:skos="http://www.w3.org/2004/02/skos/core#" xmlns:metadata_def="http://data.bioontology.org/metadata/def/" xmlns:oboinowl_gen="http://www.geneontology.org/formats/oboInOwl#" xmlns:metadata="http://data.bioontology.org/metadata/" xmlns:ns0="http://purl.obolibrary.org/obo/chebi#"> <owl:Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_22958"> <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_66873"/> <skos:notation>CHEBI:22958</skos:notation> <metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_22958"/> <metadata_def:mappingLoom>butenedioicacid</metadata_def:mappingLoom> <rdfs:label>butenedioic acid</rdfs:label> <metadata_def:prefLabel>butenedioic acid</metadata_def:prefLabel> <oboinowl_gen:inSubset rdf:resource="http://purl.obolibrary.org/obo/chebi#3_STAR"/> <oboinowl_gen:hasExactSynonym>but-2-enedioic acid</oboinowl_gen:hasExactSynonym> <oboinowl_gen:hasRelatedSynonym>2-butenedioic acid</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasDbXref>Beilstein:8132074</oboinowl_gen:hasDbXref> <oboinowl_gen:hasOBONamespace>chebi_ontology</oboinowl_gen:hasOBONamespace> <metadata:treeView rdf:resource="http://purl.obolibrary.org/obo/CHEBI_66873"/> <oboinowl_gen:id>CHEBI:22958</oboinowl_gen:id> <obo_purl:chebi/smiles>[H]C(=C([H])C(O)=O)C(O)=O</obo_purl:chebi/smiles> <ns0:is_conjugate_acid_of rdf:resource="http://purl.obolibrary.org/obo/CHEBI_37155"/> <obo_purl:chebi/formula>C4H4O4</obo_purl:chebi/formula> <obo_purl:chebi/charge>0</obo_purl:chebi/charge> <obo_purl:chebi/mass>116.07216</obo_purl:chebi/mass> <obo_purl:chebi/inchikey>VZCYOOQTPOCHFL-UHFFFAOYSA-N</obo_purl:chebi/inchikey> <obo_purl:chebi/monoisotopicmass>116.01096</obo_purl:chebi/monoisotopicmass> <obo_purl:chebi/inchi>InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)</obo_purl:chebi/inchi> </owl:Class> <rdf:Description rdf:about="http://purl.obolibrary.org/obo/CHEBI_18012"> <metadata:treeView> <rdf:Description rdf:about="http://purl.obolibrary.org/obo/CHEBI_22958"> <metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_22958"/> </rdf:Description> </metadata:treeView> <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_22958"/> </rdf:Description> <rdf:Description rdf:about="http://purl.obolibrary.org/obo/CHEBI_18300"> <metadata:treeView rdf:resource="http://purl.obolibrary.org/obo/CHEBI_22958"/> <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_22958"/> </rdf:Description> <rdf:Description rdf:about="http://purl.obolibrary.org/obo/CHEBI_19448"> <ns2:has_functional_parent rdf:resource="http://purl.obolibrary.org/obo/CHEBI_22958"/> </rdf:Description> <rdf:Description rdf:about="http://purl.obolibrary.org/obo/CHEBI_28394"> <ns2:has_functional_parent rdf:resource="http://purl.obolibrary.org/obo/CHEBI_22958"/> </rdf:Description> <rdf:Description rdf:about="http://purl.obolibrary.org/obo/CHEBI_37155"> <ns0:is_conjugate_base_of rdf:resource="http://purl.obolibrary.org/obo/CHEBI_22958"/> </rdf:Description> <rdf:Description rdf:about="http://purl.obolibrary.org/obo/CHEBI_37953"> <ns1:is_substituent_group_from rdf:resource="http://purl.obolibrary.org/obo/CHEBI_22958"/> </rdf:Description> <rdf:Description rdf:about="http://purl.obolibrary.org/obo/CHEBI_37954"> <ns1:is_substituent_group_from rdf:resource="http://purl.obolibrary.org/obo/CHEBI_22958"/> </rdf:Description> </rdf:RDF>
<?xml version="1.0" encoding="UTF-8"?>
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    <obo_purl:chebi/formula>C4H4O4</obo_purl:chebi/formula>
    <obo_purl:chebi/charge>0</obo_purl:chebi/charge>
    <obo_purl:chebi/mass>116.07216</obo_purl:chebi/mass>
    <obo_purl:chebi/inchikey>VZCYOOQTPOCHFL-UHFFFAOYSA-N</obo_purl:chebi/inchikey>
    <obo_purl:chebi/monoisotopicmass>116.01096</obo_purl:chebi/monoisotopicmass>
    <obo_purl:chebi/inchi>InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)</obo_purl:chebi/inchi>
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</rdf:RDF>