<?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:ns0="https://w3id.org/chemrof/" xmlns:skos="http://www.w3.org/2004/02/skos/core#" xmlns:oboinowl_gen="http://www.geneontology.org/formats/oboInOwl#" xmlns:metadata_def="http://data.bioontology.org/metadata/def/">
<owl:Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_5757">
<rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_24431"/>
<rdfs:label>homostachydrine</rdfs:label>
<ns0:charge rdf:datatype="http://www.w3.org/2001/XMLSchema#integer">0</ns0:charge>
<ns0:generalized_empirical_formula>C8H15NO2</ns0:generalized_empirical_formula>
<ns0:inchi_key_string>XULZWQRXYTVUTE-UHFFFAOYSA-N</ns0:inchi_key_string>
<ns0:inchi_string>InChI=1S/C8H15NO2/c1-9(2)6-4-3-5-7(9)8(10)11/h7H,3-6H2,1-2H3</ns0:inchi_string>
<ns0:mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">157.213</ns0:mass>
<ns0:monoisotopic_mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">157.11028</ns0:monoisotopic_mass>
<ns0:smiles_string>C[N+]1(C)CCCCC1C(=O)[O-]</ns0:smiles_string>
<skos:notation>CHEBI:5757</skos:notation>
<obo_purl:IAO_0000115>An ammonium betaine that is pipecolic acid zwitterion with methyl groups substituted for the two hydrogens at the nitrogen. It is found in in fruits, seeds, and leaves of orange, lemon, and bergamot.</obo_purl:IAO_0000115>
<oboinowl_gen:hasExactSynonym>1,1-dimethylpiperidinium-2-carboxylate</oboinowl_gen:hasExactSynonym>
<oboinowl_gen:hasDbXref>cas:1195-94-4</oboinowl_gen:hasDbXref>
<oboinowl_gen:hasDbXref>kegg.compound:C08283</oboinowl_gen:hasDbXref>
<oboinowl_gen:hasDbXref>knapsack:C00001367</oboinowl_gen:hasDbXref>
<oboinowl_gen:hasDbXref>patent:US5972840</oboinowl_gen:hasDbXref>
<oboinowl_gen:hasDbXref>pubmed:22208890</oboinowl_gen:hasDbXref>
<oboinowl_gen:hasDbXref>reaxys:4135110</oboinowl_gen:hasDbXref>
<oboinowl_gen:hasOBONamespace>chebi_ontology</oboinowl_gen:hasOBONamespace>
<oboinowl_gen:id>CHEBI:5757</oboinowl_gen:id>
<oboinowl_gen:inSubset rdf:resource="http://purl.obolibrary.org/obo/chebi/3_STAR"/>
<metadata_def:prefLabel>homostachydrine</metadata_def:prefLabel>
<oboinowl_gen:hasRelatedSynonym>pipecolic acid betaine</oboinowl_gen:hasRelatedSynonym>
<oboinowl_gen:hasRelatedSynonym>1,1-dimethylpiperidinium-2-carboxylate</oboinowl_gen:hasRelatedSynonym>
<metadata_def:mappingLoom>homostachydrine</metadata_def:mappingLoom>
<metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_5757"/>
</owl:Class>
<rdf:Description rdf:about="http://www.ebi.ac.uk/efo/EFO_0021164">
<obo_purl:IAO_0000136>
<rdf:Description rdf:about="http://purl.obolibrary.org/obo/CHEBI_5757">
<metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_5757"/>
</rdf:Description>
</obo_purl:IAO_0000136>
</rdf:Description>
</rdf:RDF>
<?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:ns0="https://w3id.org/chemrof/" xmlns:skos="http://www.w3.org/2004/02/skos/core#" xmlns:oboinowl_gen="http://www.geneontology.org/formats/oboInOwl#" xmlns:metadata_def="http://data.bioontology.org/metadata/def/">
<owl:Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_5757">
<rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_24431"/>
<rdfs:label>homostachydrine</rdfs:label>
<ns0:charge rdf:datatype="http://www.w3.org/2001/XMLSchema#integer">0</ns0:charge>
<ns0:generalized_empirical_formula>C8H15NO2</ns0:generalized_empirical_formula>
<ns0:inchi_key_string>XULZWQRXYTVUTE-UHFFFAOYSA-N</ns0:inchi_key_string>
<ns0:inchi_string>InChI=1S/C8H15NO2/c1-9(2)6-4-3-5-7(9)8(10)11/h7H,3-6H2,1-2H3</ns0:inchi_string>
<ns0:mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">157.213</ns0:mass>
<ns0:monoisotopic_mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">157.11028</ns0:monoisotopic_mass>
<ns0:smiles_string>C[N+]1(C)CCCCC1C(=O)[O-]</ns0:smiles_string>
<skos:notation>CHEBI:5757</skos:notation>
<obo_purl:IAO_0000115>An ammonium betaine that is pipecolic acid zwitterion with methyl groups substituted for the two hydrogens at the nitrogen. It is found in in fruits, seeds, and leaves of orange, lemon, and bergamot.</obo_purl:IAO_0000115>
<oboinowl_gen:hasExactSynonym>1,1-dimethylpiperidinium-2-carboxylate</oboinowl_gen:hasExactSynonym>
<oboinowl_gen:hasDbXref>cas:1195-94-4</oboinowl_gen:hasDbXref>
<oboinowl_gen:hasDbXref>kegg.compound:C08283</oboinowl_gen:hasDbXref>
<oboinowl_gen:hasDbXref>knapsack:C00001367</oboinowl_gen:hasDbXref>
<oboinowl_gen:hasDbXref>patent:US5972840</oboinowl_gen:hasDbXref>
<oboinowl_gen:hasDbXref>pubmed:22208890</oboinowl_gen:hasDbXref>
<oboinowl_gen:hasDbXref>reaxys:4135110</oboinowl_gen:hasDbXref>
<oboinowl_gen:hasOBONamespace>chebi_ontology</oboinowl_gen:hasOBONamespace>
<oboinowl_gen:id>CHEBI:5757</oboinowl_gen:id>
<oboinowl_gen:inSubset rdf:resource="http://purl.obolibrary.org/obo/chebi/3_STAR"/>
<metadata_def:prefLabel>homostachydrine</metadata_def:prefLabel>
<oboinowl_gen:hasRelatedSynonym>pipecolic acid betaine</oboinowl_gen:hasRelatedSynonym>
<oboinowl_gen:hasRelatedSynonym>1,1-dimethylpiperidinium-2-carboxylate</oboinowl_gen:hasRelatedSynonym>
<metadata_def:mappingLoom>homostachydrine</metadata_def:mappingLoom>
<metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_5757"/>
</owl:Class>
<rdf:Description rdf:about="http://www.ebi.ac.uk/efo/EFO_0021164">
<obo_purl:IAO_0000136>
<rdf:Description rdf:about="http://purl.obolibrary.org/obo/CHEBI_5757">
<metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_5757"/>
</rdf:Description>
</obo_purl:IAO_0000136>
</rdf:Description>
</rdf:RDF>