Source:http://biocyc.org/biopax/biopax-level3ChemicalStructure173346
| Predicate | Object |
|---|---|
| rdf:type | |
| biopax3:structureData |
<cml> <molecule id="11-Beta-Hydroxysteroids1" title="an 11-beta-hydroxysteroid" formalCharge="0" dictRef="dict11-Beta-Hydroxysteroids1"> <atomArray> <atom id="11-Beta-Hydroxysteroids1-atom1" elementType="C" x2="6062.0" y2="-5600.0"/> <atom id="11-Beta-Hydroxysteroids1-atom2" elementType="C" x2="2425.0" y2="-3500.0"/> <atom id="11-Beta-Hydroxysteroids1-atom3" elementType="O" x2="2425.0" y2="-4900.0"/> <atom id="11-Beta-Hydroxysteroids1-atom4" elementType="R" x2="7826.0" y2="-5964.0"/> <atom id="11-Beta-Hydroxysteroids1-atom5" elementType="C" x2="0.0" y2="-700.0"/> <atom id="11-Beta-Hydroxysteroids1-atom6" elementType="C" x2="0.0" y2="-2100.0"/> <atom id="11-Beta-Hydroxysteroids1-atom7" elementType="C" x2="1212.0" y2="0.0"/> <atom id="11-Beta-Hydroxysteroids1-atom8" elementType="C" x2="8217.0" y2="-3500.0"/> <atom id="11-Beta-Hydroxysteroids1-atom9" elementType="C" x2="3637.0" y2="0.0"/> <atom id="11-Beta-Hydroxysteroids1-atom10" elementType="C" x2="4850.0" y2="-700.0"/> <atom id="11-Beta-Hydroxysteroids1-atom11" elementType="C" x2="7394.0" y2="-2367.0"/> <atom id="11-Beta-Hydroxysteroids1-atom12" elementType="C" x2="1212.0" y2="-2800.0"/> <atom id="11-Beta-Hydroxysteroids1-atom13" elementType="C" x2="4850.0" y2="-4900.0"/> <atom id="11-Beta-Hydroxysteroids1-atom14" elementType="C" x2="3637.0" y2="-4200.0"/> <atom id="11-Beta-Hydroxysteroids1-atom15" elementType="C" x2="7394.0" y2="-4633.0"/> <atom id="11-Beta-Hydroxysteroids1-atom16" elementType="C" x2="2425.0" y2="-700.0"/> <atom id="11-Beta-Hydroxysteroids1-atom17" elementType="C" x2="4850.0" y2="-2100.0"/> <atom id="11-Beta-Hydroxysteroids1-atom18" elementType="C" x2="6062.0" y2="-2800.0"/> <atom id="11-Beta-Hydroxysteroids1-atom19" elementType="C" x2="3637.0" y2="-2800.0"/> <atom id="11-Beta-Hydroxysteroids1-atom20" elementType="C" x2="6062.0" y2="-4200.0"/> <atom id="11-Beta-Hydroxysteroids1-atom21" elementType="C" x2="2425.0" y2="-2100.0"/> </atomArray> <bondArray> <bond id="11-Beta-Hydroxysteroids1-bond1" atomRefs="11-Beta-Hydroxysteroids1-atom19 11-Beta-Hydroxysteroids1-atom21" order="1"/> <bond id="11-Beta-Hydroxysteroids1-bond2" atomRefs="11-Beta-Hydroxysteroids1-atom18 11-Beta-Hydroxysteroids1-atom20" order="1"/> <bond id="11-Beta-Hydroxysteroids1-bond3" atomRefs="11-Beta-Hydroxysteroids1-atom17 11-Beta-Hydroxysteroids1-atom19" order="1"/> <bond id="11-Beta-Hydroxysteroids1-bond4" atomRefs="11-Beta-Hydroxysteroids1-atom17 11-Beta-Hydroxysteroids1-atom18" order="1"/> <bond id="11-Beta-Hydroxysteroids1-bond5" atomRefs="11-Beta-Hydroxysteroids1-atom16 11-Beta-Hydroxysteroids1-atom21" order="1"/> <bond id="11-Beta-Hydroxysteroids1-bond6" atomRefs="11-Beta-Hydroxysteroids1-atom15 11-Beta-Hydroxysteroids1-atom20" order="1"/> <bond id="11-Beta-Hydroxysteroids1-bond7" atomRefs="11-Beta-Hydroxysteroids1-atom14 11-Beta-Hydroxysteroids1-atom19" order="1"/> <bond id="11-Beta-Hydroxysteroids1-bond8" atomRefs="11-Beta-Hydroxysteroids1-atom13 11-Beta-Hydroxysteroids1-atom20" order="1"/> <bond id="11-Beta-Hydroxysteroids1-bond9" atomRefs="11-Beta-Hydroxysteroids1-atom13 11-Beta-Hydroxysteroids1-atom14" order="1"/> <bond id="11-Beta-Hydroxysteroids1-bond10" atomRefs="11-Beta-Hydroxysteroids1-atom12 11-Beta-Hydroxysteroids1-atom21" order="1"/> <bond id="11-Beta-Hydroxysteroids1-bond11" atomRefs="11-Beta-Hydroxysteroids1-atom11 11-Beta-Hydroxysteroids1-atom18" order="1"/> <bond id="11-Beta-Hydroxysteroids1-bond12" atomRefs="11-Beta-Hydroxysteroids1-atom10 11-Beta-Hydroxysteroids1-atom17" order="1"/> <bond id="11-Beta-Hydroxysteroids1-bond13" atomRefs="11-Beta-Hydroxysteroids1-atom9 11-Beta-Hydroxysteroids1-atom16" order="1"/> <bond id="11-Beta-Hydroxysteroids1-bond14" atomRefs="11-Beta-Hydroxysteroids1-atom9 11-Beta-Hydroxysteroids1-atom10" order="1"/> <bond id="11-Beta-Hydroxysteroids1-bond15" atomRefs="11-Beta-Hydroxysteroids1-atom8 11-Beta-Hydroxysteroids1-atom15" order="1"/> <bond id="11-Beta-Hydroxysteroids1-bond16" atomRefs="11-Beta-Hydroxysteroids1-atom8 11-Beta-Hydroxysteroids1-atom11" order="1"/> <bond id="11-Beta-Hydroxysteroids1-bond17" atomRefs="11-Beta-Hydroxysteroids1-atom7 11-Beta-Hydroxysteroids1-atom16" order="1"/> <bond id="11-Beta-Hydroxysteroids1-bond18" atomRefs="11-Beta-Hydroxysteroids1-atom6 11-Beta-Hydroxysteroids1-atom12" order="1"/> <bond id="11-Beta-Hydroxysteroids1-bond19" atomRefs="11-Beta-Hydroxysteroids1-atom5 11-Beta-Hydroxysteroids1-atom7" order="1"/> <bond id="11-Beta-Hydroxysteroids1-bond20" atomRefs="11-Beta-Hydroxysteroids1-atom5 11-Beta-Hydroxysteroids1-atom6" order="1"/> <bond id="11-Beta-Hydroxysteroids1-bond21" atomRefs="11-Beta-Hydroxysteroids1-atom4 11-Beta-Hydroxysteroids1-atom15" order="1"/> <bond id="11-Beta-Hydroxysteroids1-bond22" atomRefs="11-Beta-Hydroxysteroids1-atom14 11-Beta-Hydroxysteroids1-atom3" order="1"/> <bond id="11-Beta-Hydroxysteroids1-bond23" atomRefs="11-Beta-Hydroxysteroids1-atom2 11-Beta-Hydroxysteroids1-atom21" order="1"/> <bond id="11-Beta-Hydroxysteroids1-bond24" atomRefs="11-Beta-Hydroxysteroids1-atom1 11-Beta-Hydroxysteroids1-atom20" order="1"/> </bondArray> <formula concise=""/> <string title="smiles">CC34(CC(O)C2(C(CCC1(CCCCC(C)12))C(CCC([R])3)4))</string> </molecule> </cml>
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| biopax3:structureFormat |
CML
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