@prefix rdf: <http://www.w3.org/1999/02/22-rdf-syntax-ns#> .
@prefix obo_purl: <http://purl.obolibrary.org/obo/> .
@prefix owl: <http://www.w3.org/2002/07/owl#> .
@prefix rdfs: <http://www.w3.org/2000/01/rdf-schema#> .
@prefix ns0: <https://w3id.org/chemrof/> .
@prefix skos: <http://www.w3.org/2004/02/skos/core#> .
@prefix oboinowl_gen: <http://www.geneontology.org/formats/oboInOwl#> .
@prefix ns1: <http://purl.obolibrary.org/obo/chebi/> .
@prefix metadata_def: <http://data.bioontology.org/metadata/def/> .
@prefix ns2: <http://www.ebi.ac.uk/efo/> .
obo_purl:CHEBI_5757
metadata_def:mappingLoom "homostachydrine" ;
metadata_def:mappingSameURI obo_purl:CHEBI_5757 ;
metadata_def:prefLabel "homostachydrine" ;
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." ;
oboinowl_gen:hasDbXref "cas:1195-94-4", "kegg.compound:C08283", "knapsack:C00001367", "patent:US5972840", "pubmed:22208890", "reaxys:4135110" ;
oboinowl_gen:hasExactSynonym "1,1-dimethylpiperidinium-2-carboxylate" ;
oboinowl_gen:hasOBONamespace "chebi_ontology" ;
oboinowl_gen:hasRelatedSynonym "1,1-dimethylpiperidinium-2-carboxylate", "pipecolic acid betaine" ;
oboinowl_gen:id "CHEBI:5757" ;
oboinowl_gen:inSubset <http://purl.obolibrary.org/obo/chebi/3_STAR> ;
a owl:Class ;
rdfs:label "homostachydrine" ;
rdfs:subClassOf obo_purl:CHEBI_24431 ;
skos:notation "CHEBI:5757" ;
ns0:charge 0 ;
ns0:generalized_empirical_formula "C8H15NO2" ;
ns0:inchi_key_string "XULZWQRXYTVUTE-UHFFFAOYSA-N" ;
ns0:inchi_string "InChI=1S/C8H15NO2/c1-9(2)6-4-3-5-7(9)8(10)11/h7H,3-6H2,1-2H3" ;
ns0:mass 157.213 ;
ns0:monoisotopic_mass 157.11028 ;
ns0:smiles_string "C[N+]1(C)CCCCC1C(=O)[O-]" .
ns2:EFO_0021164
obo_purl:IAO_0000136 obo_purl:CHEBI_5757 .
@prefix rdf: <http://www.w3.org/1999/02/22-rdf-syntax-ns#> .
@prefix obo_purl: <http://purl.obolibrary.org/obo/> .
@prefix owl: <http://www.w3.org/2002/07/owl#> .
@prefix rdfs: <http://www.w3.org/2000/01/rdf-schema#> .
@prefix ns0: <https://w3id.org/chemrof/> .
@prefix skos: <http://www.w3.org/2004/02/skos/core#> .
@prefix oboinowl_gen: <http://www.geneontology.org/formats/oboInOwl#> .
@prefix ns1: <http://purl.obolibrary.org/obo/chebi/> .
@prefix metadata_def: <http://data.bioontology.org/metadata/def/> .
@prefix ns2: <http://www.ebi.ac.uk/efo/> .
obo_purl:CHEBI_5757
metadata_def:mappingLoom "homostachydrine" ;
metadata_def:mappingSameURI obo_purl:CHEBI_5757 ;
metadata_def:prefLabel "homostachydrine" ;
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." ;
oboinowl_gen:hasDbXref "cas:1195-94-4", "kegg.compound:C08283", "knapsack:C00001367", "patent:US5972840", "pubmed:22208890", "reaxys:4135110" ;
oboinowl_gen:hasExactSynonym "1,1-dimethylpiperidinium-2-carboxylate" ;
oboinowl_gen:hasOBONamespace "chebi_ontology" ;
oboinowl_gen:hasRelatedSynonym "1,1-dimethylpiperidinium-2-carboxylate", "pipecolic acid betaine" ;
oboinowl_gen:id "CHEBI:5757" ;
oboinowl_gen:inSubset <http://purl.obolibrary.org/obo/chebi/3_STAR> ;
a owl:Class ;
rdfs:label "homostachydrine" ;
rdfs:subClassOf obo_purl:CHEBI_24431 ;
skos:notation "CHEBI:5757" ;
ns0:charge 0 ;
ns0:generalized_empirical_formula "C8H15NO2" ;
ns0:inchi_key_string "XULZWQRXYTVUTE-UHFFFAOYSA-N" ;
ns0:inchi_string "InChI=1S/C8H15NO2/c1-9(2)6-4-3-5-7(9)8(10)11/h7H,3-6H2,1-2H3" ;
ns0:mass 157.213 ;
ns0:monoisotopic_mass 157.11028 ;
ns0:smiles_string "C[N+]1(C)CCCCC1C(=O)[O-]" .
ns2:EFO_0021164
obo_purl:IAO_0000136 obo_purl:CHEBI_5757 .