Source:http://biocyc.org/biopax/biopax-level3ChemicalStructure147143
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biopax3:structureData |
<cml> <molecule id="GUANOSINE" title="guanosine" formalCharge="0" dictRef="dictGUANOSINE"> <atomArray> <atom id="GUANOSINE-atom1" elementType="C" x2="9372.0" y2="10517.0"/> <atom id="GUANOSINE-atom2" elementType="N" x2="2227.0" y2="14642.0"/> <atom id="GUANOSINE-atom3" elementType="N" x2="9371.0" y2="27017.0"/> <atom id="GUANOSINE-atom4" elementType="C" x2="16516.0" y2="22892.0"/> <atom id="GUANOSINE-atom5" elementType="C" x2="16516.0" y2="14642.0"/> <atom id="GUANOSINE-atom6" elementType="N" x2="24362.0" y2="12093.0"/> <atom id="GUANOSINE-atom7" elementType="C" x2="29212.0" y2="18768.0"/> <atom id="GUANOSINE-atom8" elementType="N" x2="24362.0" y2="25442.0"/> <atom id="GUANOSINE-atom9" elementType="C" x2="26912.0" y2="33290.0"/> <atom id="GUANOSINE-atom10" elementType="O" x2="22062.0" y2="39963.0"/> <atom id="GUANOSINE-atom11" elementType="C" x2="26911.0" y2="46639.0"/> <atom id="GUANOSINE-atom12" elementType="C" x2="24361.0" y2="54485.0"/> <atom id="GUANOSINE-atom13" elementType="O" x2="29882.0" y2="60616.0"/> <atom id="GUANOSINE-atom14" elementType="C" x2="34757.0" y2="44089.0"/> <atom id="GUANOSINE-atom15" elementType="O" x2="41432.0" y2="48939.0"/> <atom id="GUANOSINE-atom16" elementType="C" x2="34758.0" y2="35839.0"/> <atom id="GUANOSINE-atom17" elementType="O" x2="41432.0" y2="30990.0"/> <atom id="GUANOSINE-atom18" elementType="C" x2="2226.0" y2="22892.0"/> <atom id="GUANOSINE-atom19" elementType="N" x2="-4919.0" y2="27017.0"/> <atom id="GUANOSINE-atom20" elementType="O" x2="9372.0" y2="2267.0"/> </atomArray> <bondArray> <bond id="GUANOSINE-bond1" atomRefs="GUANOSINE-atom20 GUANOSINE-atom1" order="2"/> <bond id="GUANOSINE-bond2" atomRefs="GUANOSINE-atom1 GUANOSINE-atom2" order="1"/> <bond id="GUANOSINE-bond3" atomRefs="GUANOSINE-atom1 GUANOSINE-atom5" order="1"/> <bond id="GUANOSINE-bond4" atomRefs="GUANOSINE-atom2 GUANOSINE-atom18" order="1"/> <bond id="GUANOSINE-bond5" atomRefs="GUANOSINE-atom18 GUANOSINE-atom3" order="2"/> <bond id="GUANOSINE-bond6" atomRefs="GUANOSINE-atom3 GUANOSINE-atom4" order="1"/> <bond id="GUANOSINE-bond7" atomRefs="GUANOSINE-atom4 GUANOSINE-atom5" order="2"/> <bond id="GUANOSINE-bond8" atomRefs="GUANOSINE-atom4 GUANOSINE-atom8" order="1"/> <bond id="GUANOSINE-bond9" atomRefs="GUANOSINE-atom5 GUANOSINE-atom6" order="1"/> <bond id="GUANOSINE-bond10" atomRefs="GUANOSINE-atom6 GUANOSINE-atom7" order="2"/> <bond id="GUANOSINE-bond11" atomRefs="GUANOSINE-atom7 GUANOSINE-atom8" order="1"/> <bond id="GUANOSINE-bond12" atomRefs="GUANOSINE-atom9 GUANOSINE-atom8" order="1"/> <bond id="GUANOSINE-bond13" atomRefs="GUANOSINE-atom9 GUANOSINE-atom10" order="1"/> <bond id="GUANOSINE-bond14" atomRefs="GUANOSINE-atom9 GUANOSINE-atom16" order="1"/> <bond id="GUANOSINE-bond15" atomRefs="GUANOSINE-atom10 GUANOSINE-atom11" order="1"/> <bond id="GUANOSINE-bond16" atomRefs="GUANOSINE-atom11 GUANOSINE-atom12" order="1"/> <bond id="GUANOSINE-bond17" atomRefs="GUANOSINE-atom11 GUANOSINE-atom14" order="1"/> <bond id="GUANOSINE-bond18" atomRefs="GUANOSINE-atom12 GUANOSINE-atom13" order="1"/> <bond id="GUANOSINE-bond19" atomRefs="GUANOSINE-atom14 GUANOSINE-atom15" order="1"/> <bond id="GUANOSINE-bond20" atomRefs="GUANOSINE-atom14 GUANOSINE-atom16" order="1"/> <bond id="GUANOSINE-bond21" atomRefs="GUANOSINE-atom16 GUANOSINE-atom17" order="1"/> <bond id="GUANOSINE-bond22" atomRefs="GUANOSINE-atom18 GUANOSINE-atom19" order="1"/> </bondArray> <formula concise="H 13 O 5 N 5 C 10"/> <float title="molecularWeight" units="g/mol">283.243</float> <string title="smiles">C2(N(C1(C(O)C(O)C(CO)O1))C3(=C(N=2)C(NC(N)=N3)=O))</string> </molecule> </cml>
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biopax3:structureFormat |
CML
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