view test-data/muconate_example.xml @ 2:8a087d7546b8 draft

"planemo upload commit f40274f6b9f6a15eb4022aab21286d4c96cd8475-dirty"
author tduigou
date Mon, 28 Mar 2022 14:16:59 +0000
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<?xml version="1.0" encoding="UTF-8"?>
<sbml xmlns="http://www.sbml.org/sbml/level3/version1/core" xmlns:groups="http://www.sbml.org/sbml/level3/version1/groups/version1" xmlns:fbc="http://www.sbml.org/sbml/level3/version1/fbc/version2" level="3" version="1" groups:required="false" fbc:required="false">
  <model metaid="a03e1bf0f20b54a66f7b4ce262ea6b0f7579c0a1e47144a649b9e2e711f6b3ed" id="RP_model_001_0001" name="001_0001" substanceUnits="mole" timeUnits="second" extentUnits="mole" fbc:strict="true">
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        <annotation>
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                  <rdf:li rdf:resource="http://identifiers.org/bigg.compartment/c_c"/>
                  <rdf:li rdf:resource="http://identifiers.org/metanetx.compartment/MNXC3"/>
                  <rdf:li rdf:resource="http://identifiers.org/seed/c"/>
                  <rdf:li rdf:resource="http://identifiers.org/seed/c0"/>
                  <rdf:li rdf:resource="http://identifiers.org/seed/cytosol"/>
                  <rdf:li rdf:resource="http://identifiers.org/name/cytosol"/>
                </rdf:Bag>
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        </annotation>
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        <annotation>
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                <brsynth:inchi value="InChI=1S/C6H6O4/c7-5(8)3-1-2-4-6(9)10/h1-4H,(H,7,8)(H,9,10)"/>
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        <annotation>
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                <brsynth:inchi value="InChI=1S/C21H30N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1,3-4,7-8,10-11,13-16,20-21,29-31H,2,5-6H2,(H2,23,32)(H,36,37)(H,38,39)(H2,22,24,25)(H2,33,34,35)"/>
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                <brsynth:smiles value="[H+]"/>
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                <brsynth:inchikey value="GPRLSGONYQIRFK-UHFFFAOYSA-N"/>
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                <brsynth:smiles value="O=C=O"/>
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                <brsynth:inchikey value="CURLTUGMZLYLDI-UHFFFAOYSA-N"/>
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                <brsynth:smiles value="N"/>
                <brsynth:inchi value="InChI=1S/H3N/h1H3"/>
                <brsynth:inchikey value="QGZKDVFQNNGYKY-UHFFFAOYSA-N"/>
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            </rdf:BRSynth>
          </rdf:RDF>
        </annotation>
      </species>
    </listOfSpecies>
    <listOfParameters>
      <parameter metaid="dc937b59892604f5a86ac96936cd7ff09e25f18ae6b758e8014a24c7fa039e91" sboTerm="SBO:0000625" id="BRS_FBC_999999_0" value="999999" constant="true"/>
      <parameter metaid="dc937b59892604f5a86ac96936cd7ff09e25f18ae6b758e8014a24c7fa039e91" sboTerm="SBO:0000625" id="BRS_FBC_0_0" value="0" constant="true"/>
    </listOfParameters>
    <listOfReactions>
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</sbml>