<?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/"> <owl:Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_89609"> <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_51683"/> <skos:notation>CHEBI:89609</skos:notation> <metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_89609"/> <metadata_def:mappingLoom>omethoxycatecholosulphate</metadata_def:mappingLoom> <rdfs:label>O-methoxycatechol-O-sulphate</rdfs:label> <metadata_def:prefLabel>O-methoxycatechol-O-sulphate</metadata_def:prefLabel> <oboinowl_gen:inSubset rdf:resource="http://purl.obolibrary.org/obo/chebi#2_STAR"/> <oboinowl_gen:hasRelatedSynonym>(2-methoxyphenyl) hydrogen sulphate</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>2-Methoxyphenyl hydrogen sulfate</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>(2-methoxyphenyl) hydrogen sulfate</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>2-Methoxyphenyl hydrogen sulphate</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>(2-methoxyphenyl)oxidanesulfonic acid</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasDbXref>PMID:22827565</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>HMDB:HMDB0060013</oboinowl_gen:hasDbXref> <oboinowl_gen:hasOBONamespace>chebi_ontology</oboinowl_gen:hasOBONamespace> <metadata:treeView rdf:resource="http://purl.obolibrary.org/obo/CHEBI_51683"/> <oboinowl_gen:id>CHEBI:89609</oboinowl_gen:id> <obo_purl:chebi/smiles>C=1(C=CC=CC1OC)OS(=O)(=O)O</obo_purl:chebi/smiles> <obo_purl:chebi/formula>C7H8O5S</obo_purl:chebi/formula> <obo_purl:chebi/charge>0</obo_purl:chebi/charge> <obo_purl:chebi/mass>204.202</obo_purl:chebi/mass> <obo_purl:chebi/inchikey>AQTYXAPIHMXAAV-UHFFFAOYSA-N</obo_purl:chebi/inchikey> <obo_purl:chebi/monoisotopicmass>204.00924</obo_purl:chebi/monoisotopicmass> <obo_purl:chebi/inchi>InChI=1S/C7H8O5S/c1-11-6-4-2-3-5-7(6)12-13(8,9)10/h2-5H,1H3,(H,8,9,10)</obo_purl:chebi/inchi> </owl:Class> <rdf:Description rdf:about="http://purl.obolibrary.org/obo/CHEBI_89609"> <metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_89609"/> </rdf:Description> </rdf:RDF>
<?xml version="1.0" encoding="UTF-8"?>
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  <owl:Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_89609">
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    <metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_89609"/>
    <metadata_def:mappingLoom>omethoxycatecholosulphate</metadata_def:mappingLoom>
    <rdfs:label>O-methoxycatechol-O-sulphate</rdfs:label>
    <metadata_def:prefLabel>O-methoxycatechol-O-sulphate</metadata_def:prefLabel>
    <oboinowl_gen:inSubset rdf:resource="http://purl.obolibrary.org/obo/chebi#2_STAR"/>
    <oboinowl_gen:hasRelatedSynonym>(2-methoxyphenyl) hydrogen sulphate</oboinowl_gen:hasRelatedSynonym>
    <oboinowl_gen:hasRelatedSynonym>2-Methoxyphenyl hydrogen sulfate</oboinowl_gen:hasRelatedSynonym>
    <oboinowl_gen:hasRelatedSynonym>(2-methoxyphenyl) hydrogen sulfate</oboinowl_gen:hasRelatedSynonym>
    <oboinowl_gen:hasRelatedSynonym>2-Methoxyphenyl hydrogen sulphate</oboinowl_gen:hasRelatedSynonym>
    <oboinowl_gen:hasRelatedSynonym>(2-methoxyphenyl)oxidanesulfonic acid</oboinowl_gen:hasRelatedSynonym>
    <oboinowl_gen:hasDbXref>PMID:22827565</oboinowl_gen:hasDbXref>
    <oboinowl_gen:hasDbXref>HMDB:HMDB0060013</oboinowl_gen:hasDbXref>
    <oboinowl_gen:hasOBONamespace>chebi_ontology</oboinowl_gen:hasOBONamespace>
    <metadata:treeView rdf:resource="http://purl.obolibrary.org/obo/CHEBI_51683"/>
    <oboinowl_gen:id>CHEBI:89609</oboinowl_gen:id>
    <obo_purl:chebi/smiles>C=1(C=CC=CC1OC)OS(=O)(=O)O</obo_purl:chebi/smiles>
    <obo_purl:chebi/formula>C7H8O5S</obo_purl:chebi/formula>
    <obo_purl:chebi/charge>0</obo_purl:chebi/charge>
    <obo_purl:chebi/mass>204.202</obo_purl:chebi/mass>
    <obo_purl:chebi/inchikey>AQTYXAPIHMXAAV-UHFFFAOYSA-N</obo_purl:chebi/inchikey>
    <obo_purl:chebi/monoisotopicmass>204.00924</obo_purl:chebi/monoisotopicmass>
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    <metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_89609"/>
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