avogadro-data 1.0.3-1ubuntu4 / usr / share / avogadro / fragments / fatty acids / linoleic_acid.cml

This file is indexed.

/usr/share/avogadro/fragments/fatty acids/linoleic_acid.cml is in avogadro-data 1.0.3-1ubuntu4.

This file is owned by root:root, with mode 0o644.

The actual contents of the file can be viewed below. 

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<?xml version="1.0" encoding="UTF-8"?>
<molecule xmlns="http://www.xml-cml.org/schema"
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          xmlns:units="http://www.xml-cml.org/units/units"
          xmlns:xsd="http://www.w3c.org/2001/XMLSchema"
          xmlns:iupac="http://www.iupac.org"
          id="CS_9Z_12Z-octadeca-9_12-dienoic_acid">
  <formula concise=" C 18 H 32 O 2 "/>
  <identifier convention="iupac:inchi" value="1/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-"/>
  <name convention="IUPAC">(9Z,12Z)-Octadeca-9,12-dienoic acid</name>
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    </property>
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      <scalar dataType="xsd:double" dictRef="cml:monoisotopicwt" units="units:g">280.2402303</scalar>
    </property>
    <property dictRef="cml:mp" title="Melting point">
      <scalar dataType="xsd:double" errorValue="1.0" dictRef="cml:mp" units="units:celsius">-5</scalar>
    </property>
    <property dictRef="cml:bp" title="Boiling point">
      <scalar dataType="xsd:double" errorValue="1.0" dictRef="cml:bp" units="units:celsius">229</scalar>
    </property>
  </propertyList>
</molecule>

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