<?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_82913">
<rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_33709"/>
<rdfs:label>3-O-methyldopa</rdfs:label>
<ns0:charge rdf:datatype="http://www.w3.org/2001/XMLSchema#integer">0</ns0:charge>
<ns0:generalized_empirical_formula>C10H13NO4</ns0:generalized_empirical_formula>
<ns0:inchi_key_string>PFDUUKDQEHURQC-ZETCQYMHSA-N</ns0:inchi_key_string>
<ns0:inchi_string>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:inchi_string>
<ns0:mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">211.217</ns0:mass>
<ns0:monoisotopic_mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">211.08446</ns0:monoisotopic_mass>
<ns0:smiles_string>COc1cc(C[C@H](N)C(=O)O)ccc1O</ns0:smiles_string>
<skos:notation>CHEBI:82913</skos:notation>
<obo_purl:IAO_0000115>A <small>L</small>-tyrosine derivative that is the 3-methoxy derivative of <small>L</small>-dopa.</obo_purl:IAO_0000115>
<oboinowl_gen:hasExactSynonym>3-methoxy-L-tyrosine</oboinowl_gen:hasExactSynonym>
<oboinowl_gen:hasDbXref>cas:300-48-1</oboinowl_gen:hasDbXref>
<oboinowl_gen:hasDbXref>hmdb:HMDB0001434</oboinowl_gen:hasDbXref>
<oboinowl_gen:hasDbXref>pdb-ccd:3YM</oboinowl_gen:hasDbXref>
<oboinowl_gen:hasDbXref>pubmed:23503547</oboinowl_gen:hasDbXref>
<oboinowl_gen:hasDbXref>pubmed:24513538</oboinowl_gen:hasDbXref>
<oboinowl_gen:hasDbXref>reaxys:2379987</oboinowl_gen:hasDbXref>
<oboinowl_gen:hasDbXref>wikipedia.en:3-O-Methyldopa</oboinowl_gen:hasDbXref>
<oboinowl_gen:hasOBONamespace>chebi_ontology</oboinowl_gen:hasOBONamespace>
<oboinowl_gen:id>CHEBI:82913</oboinowl_gen:id>
<oboinowl_gen:inSubset rdf:resource="http://purl.obolibrary.org/obo/chebi/3_STAR"/>
<metadata_def:prefLabel>3-O-methyldopa</metadata_def:prefLabel>
<oboinowl_gen:hasRelatedSynonym>3-methoxy-L-tyrosine</oboinowl_gen:hasRelatedSynonym>
<oboinowl_gen:hasRelatedSynonym>L-3-(4-hydroxy-3-methoxyphenyl)-alanine</oboinowl_gen:hasRelatedSynonym>
<metadata_def:mappingLoom>3omethyldopa</metadata_def:mappingLoom>
<metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_82913"/>
</owl:Class>
<rdf:Description rdf:about="http://purl.obolibrary.org/obo/CHEBI_82913">
<metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_82913"/>
</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_82913">
<rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_33709"/>
<rdfs:label>3-O-methyldopa</rdfs:label>
<ns0:charge rdf:datatype="http://www.w3.org/2001/XMLSchema#integer">0</ns0:charge>
<ns0:generalized_empirical_formula>C10H13NO4</ns0:generalized_empirical_formula>
<ns0:inchi_key_string>PFDUUKDQEHURQC-ZETCQYMHSA-N</ns0:inchi_key_string>
<ns0:inchi_string>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:inchi_string>
<ns0:mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">211.217</ns0:mass>
<ns0:monoisotopic_mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">211.08446</ns0:monoisotopic_mass>
<ns0:smiles_string>COc1cc(C[C@H](N)C(=O)O)ccc1O</ns0:smiles_string>
<skos:notation>CHEBI:82913</skos:notation>
<obo_purl:IAO_0000115>A <small>L</small>-tyrosine derivative that is the 3-methoxy derivative of <small>L</small>-dopa.</obo_purl:IAO_0000115>
<oboinowl_gen:hasExactSynonym>3-methoxy-L-tyrosine</oboinowl_gen:hasExactSynonym>
<oboinowl_gen:hasDbXref>cas:300-48-1</oboinowl_gen:hasDbXref>
<oboinowl_gen:hasDbXref>hmdb:HMDB0001434</oboinowl_gen:hasDbXref>
<oboinowl_gen:hasDbXref>pdb-ccd:3YM</oboinowl_gen:hasDbXref>
<oboinowl_gen:hasDbXref>pubmed:23503547</oboinowl_gen:hasDbXref>
<oboinowl_gen:hasDbXref>pubmed:24513538</oboinowl_gen:hasDbXref>
<oboinowl_gen:hasDbXref>reaxys:2379987</oboinowl_gen:hasDbXref>
<oboinowl_gen:hasDbXref>wikipedia.en:3-O-Methyldopa</oboinowl_gen:hasDbXref>
<oboinowl_gen:hasOBONamespace>chebi_ontology</oboinowl_gen:hasOBONamespace>
<oboinowl_gen:id>CHEBI:82913</oboinowl_gen:id>
<oboinowl_gen:inSubset rdf:resource="http://purl.obolibrary.org/obo/chebi/3_STAR"/>
<metadata_def:prefLabel>3-O-methyldopa</metadata_def:prefLabel>
<oboinowl_gen:hasRelatedSynonym>3-methoxy-L-tyrosine</oboinowl_gen:hasRelatedSynonym>
<oboinowl_gen:hasRelatedSynonym>L-3-(4-hydroxy-3-methoxyphenyl)-alanine</oboinowl_gen:hasRelatedSynonym>
<metadata_def:mappingLoom>3omethyldopa</metadata_def:mappingLoom>
<metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_82913"/>
</owl:Class>
<rdf:Description rdf:about="http://purl.obolibrary.org/obo/CHEBI_82913">
<metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_82913"/>
</rdf:Description>
</rdf:RDF>