KEGG molecule: C12455

CML

<molecule>
<identifier>
<inchi>1.12Beta/C5H11NO/c6-4-2-1-3-5-7/h1-4H2,5H,6H2</inchi>
<auxinfo>1.12Beta/0/N:4,5,3,6,2,7,1/rA:7OCCCCCN/rB:d1;s2;s3;s4;s5;s6;/rC:1.8,-.4625,0;1.8042,-1.2875,0;1.0917,-1.7,0;.3792,-1.2917,0;-.3333,-1.7042,0;-1.0458,-1.2958,0;-1.7583,-1.7083,0;</auxinfo>
</identifier>
<metadataList title="generated automatically from Open Babel">
<metadata name="dc:creator" content="Open Babel version BABEL_VERSION"/>
<metadata name="dc:description" content="Conversion of legacy filetype to CML"/>
<metadata name="dc:identifier" content="Unknown"/>
<metadata name="dc:content"/>
<metadata name="dc:rights" content="unknown"/>
<metadata name="dc:type" content="chemistry"/>
<metadata name="dc:contributor" content="unknown"/>
<metadata name="dc:creator" content="Open Babel version BABEL_VERSION"/>
<metadata name="dc:date" content="Tue Oct 05 11:42:56 BST 2004"/>
<metadata name="cmlm:structure" content="yes"/>
</metadataList>
<atomArray>
<atom id="a1" elementType="O" x2="1.8" y2="-0.4625"/>
<atom id="a2" elementType="C" x2="1.8042" y2="-1.2875"/>
<atom id="a3" elementType="C" x2="1.0917" y2="-1.7"/>
<atom id="a4" elementType="C" x2="0.3792" y2="-1.2917"/>
<atom id="a5" elementType="C" x2="-0.3333" y2="-1.7042"/>
<atom id="a6" elementType="C" x2="-1.0458" y2="-1.2958"/>
<atom id="a7" elementType="N" x2="-1.7583" y2="-1.7083"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a2" order="2"/>
<bond atomRefs2="a2 a3" order="1"/>
<bond atomRefs2="a3 a4" order="1"/>
<bond atomRefs2="a4 a5" order="1"/>
<bond atomRefs2="a5 a6" order="1"/>
<bond atomRefs2="a6 a7" order="1"/>
</bondArray>
</molecule>