@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 skos: <http://www.w3.org/2004/02/skos/core#> .
@prefix oboinowl_gen: <http://www.geneontology.org/formats/oboInOwl#> .
@prefix ns0: <http://purl.obolibrary.org/obo/chebi/> .
@prefix metadata_def: <http://data.bioontology.org/metadata/def/> .
@prefix ns1: <http://purl.obolibrary.org/obo/chebi#> .
obo_purl:CHEBI_82913
metadata_def:mappingLoom "3omethyldopa" ;
metadata_def:mappingSameURI obo_purl:CHEBI_82913 ;
metadata_def:prefLabel "3-O-methyldopa" ;
obo_purl:IAO_0000115 "A L-tyrosine derivative that is the 3-methoxy derivative of L-dopa." ;
ns0:charge "0" ;
ns0:formula "C10H13NO4" ;
ns0:inchi "InChI=1S/C10H13NO4/c1-15-9-5-6(2-3-8(9)12)4-7(11)10(13)14/h2-3,5,7,12H,4,11H2,1H3,(H,13,14)/t7-/m0/s1" ;
ns0:inchikey "PFDUUKDQEHURQC-ZETCQYMHSA-N" ;
ns0:mass "211.217" ;
ns0:monoisotopicmass "211.08446" ;
ns0:smiles "O=C(O)[C@@H](N)CC=1C=C(C(=CC1)O)OC" ;
oboinowl_gen:hasDbXref "CAS:300-48-1", "HMDB:HMDB0001434", "PDBeChem:3YM", "PMID:23503547", "PMID:24513538", "Reaxys:2379987", "Wikipedia:3-O-Methyldopa" ;
oboinowl_gen:hasExactSynonym "3-methoxy-L-tyrosine" ;
oboinowl_gen:hasOBONamespace "chebi_ontology" ;
oboinowl_gen:hasRelatedSynonym "L-3-(4-hydroxy-3-methoxyphenyl)-alanine" ;
oboinowl_gen:id "CHEBI:82913" ;
oboinowl_gen:inSubset <http://purl.obolibrary.org/obo/chebi#3_STAR> ;
a owl:Class ;
rdfs:label "3-O-methyldopa" ;
rdfs:subClassOf obo_purl:CHEBI_33709 ;
skos:notation "CHEBI:82913" .
@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 skos: <http://www.w3.org/2004/02/skos/core#> .
@prefix oboinowl_gen: <http://www.geneontology.org/formats/oboInOwl#> .
@prefix ns0: <http://purl.obolibrary.org/obo/chebi/> .
@prefix metadata_def: <http://data.bioontology.org/metadata/def/> .
@prefix ns1: <http://purl.obolibrary.org/obo/chebi#> .
obo_purl:CHEBI_82913
metadata_def:mappingLoom "3omethyldopa" ;
metadata_def:mappingSameURI obo_purl:CHEBI_82913 ;
metadata_def:prefLabel "3-O-methyldopa" ;
obo_purl:IAO_0000115 "A L-tyrosine derivative that is the 3-methoxy derivative of L-dopa." ;
ns0:charge "0" ;
ns0:formula "C10H13NO4" ;
ns0:inchi "InChI=1S/C10H13NO4/c1-15-9-5-6(2-3-8(9)12)4-7(11)10(13)14/h2-3,5,7,12H,4,11H2,1H3,(H,13,14)/t7-/m0/s1" ;
ns0:inchikey "PFDUUKDQEHURQC-ZETCQYMHSA-N" ;
ns0:mass "211.217" ;
ns0:monoisotopicmass "211.08446" ;
ns0:smiles "O=C(O)[C@@H](N)CC=1C=C(C(=CC1)O)OC" ;
oboinowl_gen:hasDbXref "CAS:300-48-1", "HMDB:HMDB0001434", "PDBeChem:3YM", "PMID:23503547", "PMID:24513538", "Reaxys:2379987", "Wikipedia:3-O-Methyldopa" ;
oboinowl_gen:hasExactSynonym "3-methoxy-L-tyrosine" ;
oboinowl_gen:hasOBONamespace "chebi_ontology" ;
oboinowl_gen:hasRelatedSynonym "L-3-(4-hydroxy-3-methoxyphenyl)-alanine" ;
oboinowl_gen:id "CHEBI:82913" ;
oboinowl_gen:inSubset <http://purl.obolibrary.org/obo/chebi#3_STAR> ;
a owl:Class ;
rdfs:label "3-O-methyldopa" ;
rdfs:subClassOf obo_purl:CHEBI_33709 ;
skos:notation "CHEBI:82913" .