Source:http://biocyc.org/biopax/biopax-level3ChemicalStructure131411
| Predicate | Object |
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| biopax3:structureData |
<cml> <molecule id="S-NORLAUDANOSOLINE" title="S-norlaudanosoline" formalCharge="1" dictRef="dictS-NORLAUDANOSOLINE"> <atomArray> <atom id="S-NORLAUDANOSOLINE-atom1" elementType="O" x2="5175.0" y2="0.0"/> <atom id="S-NORLAUDANOSOLINE-atom2" elementType="O" x2="5613.0" y2="-1591.0"/> <atom id="S-NORLAUDANOSOLINE-atom3" elementType="O" x2="0.0" y2="-4824.0"/> <atom id="S-NORLAUDANOSOLINE-atom4" elementType="O" x2="0.0" y2="-3174.0"/> <atom id="S-NORLAUDANOSOLINE-atom5" elementType="C" x2="3218.0" y2="-966.0"/> <atom id="S-NORLAUDANOSOLINE-atom6" elementType="C" x2="3798.0" y2="-379.0"/> <atom id="S-NORLAUDANOSOLINE-atom7" elementType="C" x2="4236.0" y2="-1970.0"/> <atom id="S-NORLAUDANOSOLINE-atom8" elementType="C" x2="1429.0" y2="-4824.0"/> <atom id="S-NORLAUDANOSOLINE-atom9" elementType="C" x2="1429.0" y2="-3174.0"/> <atom id="S-NORLAUDANOSOLINE-atom10" elementType="C" x2="3572.0" y2="-4411.0"/> <atom id="S-NORLAUDANOSOLINE-atom11" elementType="C" x2="2858.0" y2="-4824.0"/> <atom id="S-NORLAUDANOSOLINE-atom12" elementType="C" x2="2858.0" y2="-2349.0"/> <atom id="S-NORLAUDANOSOLINE-atom13" elementType="N" x2="3572.0" y2="-3586.0" formalCharge="1"/> <atom id="S-NORLAUDANOSOLINE-atom14" elementType="C" x2="3437.0" y2="-1761.0"/> <atom id="S-NORLAUDANOSOLINE-atom15" elementType="C" x2="4596.0" y2="-587.0"/> <atom id="S-NORLAUDANOSOLINE-atom16" elementType="C" x2="4815.0" y2="-1382.0"/> <atom id="S-NORLAUDANOSOLINE-atom17" elementType="C" x2="714.0" y2="-4411.0"/> <atom id="S-NORLAUDANOSOLINE-atom18" elementType="C" x2="714.0" y2="-3586.0"/> <atom id="S-NORLAUDANOSOLINE-atom19" elementType="C" x2="2143.0" y2="-4411.0"/> <atom id="S-NORLAUDANOSOLINE-atom20" elementType="C" x2="2143.0" y2="-3586.0"/> <atom id="S-NORLAUDANOSOLINE-atom21" elementType="C" x2="2858.0" y2="-3174.0"/> </atomArray> <bondArray> <bond id="S-NORLAUDANOSOLINE-bond1" atomRefs="S-NORLAUDANOSOLINE-atom20 S-NORLAUDANOSOLINE-atom21" order="1"/> <bond id="S-NORLAUDANOSOLINE-bond2" atomRefs="S-NORLAUDANOSOLINE-atom20 S-NORLAUDANOSOLINE-atom19" order="1"/> <bond id="S-NORLAUDANOSOLINE-bond3" atomRefs="S-NORLAUDANOSOLINE-atom17 S-NORLAUDANOSOLINE-atom18" order="2"/> <bond id="S-NORLAUDANOSOLINE-bond4" atomRefs="S-NORLAUDANOSOLINE-atom15 S-NORLAUDANOSOLINE-atom16" order="1"/> <bond id="S-NORLAUDANOSOLINE-bond5" atomRefs="S-NORLAUDANOSOLINE-atom13 S-NORLAUDANOSOLINE-atom21" order="1"/> <bond id="S-NORLAUDANOSOLINE-bond6" atomRefs="S-NORLAUDANOSOLINE-atom21 S-NORLAUDANOSOLINE-atom12" order="1"/> <bond id="S-NORLAUDANOSOLINE-bond7" atomRefs="S-NORLAUDANOSOLINE-atom12 S-NORLAUDANOSOLINE-atom14" order="1"/> <bond id="S-NORLAUDANOSOLINE-bond8" atomRefs="S-NORLAUDANOSOLINE-atom11 S-NORLAUDANOSOLINE-atom19" order="1"/> <bond id="S-NORLAUDANOSOLINE-bond9" atomRefs="S-NORLAUDANOSOLINE-atom10 S-NORLAUDANOSOLINE-atom13" order="1"/> <bond id="S-NORLAUDANOSOLINE-bond10" atomRefs="S-NORLAUDANOSOLINE-atom10 S-NORLAUDANOSOLINE-atom11" order="1"/> <bond id="S-NORLAUDANOSOLINE-bond11" atomRefs="S-NORLAUDANOSOLINE-atom9 S-NORLAUDANOSOLINE-atom20" order="2"/> <bond id="S-NORLAUDANOSOLINE-bond12" atomRefs="S-NORLAUDANOSOLINE-atom18 S-NORLAUDANOSOLINE-atom9" order="1"/> <bond id="S-NORLAUDANOSOLINE-bond13" atomRefs="S-NORLAUDANOSOLINE-atom19 S-NORLAUDANOSOLINE-atom8" order="2"/> <bond id="S-NORLAUDANOSOLINE-bond14" atomRefs="S-NORLAUDANOSOLINE-atom8 S-NORLAUDANOSOLINE-atom17" order="1"/> <bond id="S-NORLAUDANOSOLINE-bond15" atomRefs="S-NORLAUDANOSOLINE-atom16 S-NORLAUDANOSOLINE-atom7" order="2"/> <bond id="S-NORLAUDANOSOLINE-bond16" atomRefs="S-NORLAUDANOSOLINE-atom7 S-NORLAUDANOSOLINE-atom14" order="1"/> <bond id="S-NORLAUDANOSOLINE-bond17" atomRefs="S-NORLAUDANOSOLINE-atom6 S-NORLAUDANOSOLINE-atom15" order="2"/> <bond id="S-NORLAUDANOSOLINE-bond18" atomRefs="S-NORLAUDANOSOLINE-atom14 S-NORLAUDANOSOLINE-atom5" order="2"/> <bond id="S-NORLAUDANOSOLINE-bond19" atomRefs="S-NORLAUDANOSOLINE-atom5 S-NORLAUDANOSOLINE-atom6" order="1"/> <bond id="S-NORLAUDANOSOLINE-bond20" atomRefs="S-NORLAUDANOSOLINE-atom4 S-NORLAUDANOSOLINE-atom18" order="1"/> <bond id="S-NORLAUDANOSOLINE-bond21" atomRefs="S-NORLAUDANOSOLINE-atom3 S-NORLAUDANOSOLINE-atom17" order="1"/> <bond id="S-NORLAUDANOSOLINE-bond22" atomRefs="S-NORLAUDANOSOLINE-atom2 S-NORLAUDANOSOLINE-atom16" order="1"/> <bond id="S-NORLAUDANOSOLINE-bond23" atomRefs="S-NORLAUDANOSOLINE-atom1 S-NORLAUDANOSOLINE-atom15" order="1"/> </bondArray> <formula concise="H 18 N 1 C 16 O 4"/> <float title="molecularWeight" units="g/mol">288.322</float> <string title="smiles">C3(CC1(=CC(O)=C(O)C=C1C(CC2(=CC=C(O)C(O)=C2))[N+]3))</string> </molecule> </cml>
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| biopax3:structureFormat |
CML
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