PC-Compound ::= {
  id {
    id cid 16219623
  },
  atoms {
    aid {
      1,
      2,
      3,
      4,
      5,
      6,
      7,
      8,
      9,
      10,
      11,
      12,
      13,
      14,
      15,
      16,
      17,
      18,
      19,
      20,
      21,
      22
    },
    element {
      na,
      o,
      o,
      o,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h
    },
    radical {
      {
        aid 1,
        type doublet
      }
    }
  },
  bonds {
    aid1 {
      2,
      2,
      3,
      3,
      4,
      5,
      5,
      5,
      6,
      6,
      7,
      8,
      8,
      9,
      9,
      10,
      10,
      11,
      11,
      11,
      12,
      12
    },
    aid2 {
      7,
      14,
      13,
      22,
      14,
      6,
      7,
      8,
      10,
      11,
      9,
      12,
      15,
      13,
      16,
      14,
      17,
      18,
      19,
      20,
      13,
      21
    },
    order {
      single,
      single,
      single,
      single,
      double,
      single,
      double,
      single,
      double,
      single,
      single,
      double,
      single,
      double,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single
    }
  },
  coords {
    {
      type {
        twod,
        computed,
        units-unknown
      },
      aid {
        1,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
        14,
        15,
        16,
        17,
        18,
        19,
        20,
        21,
        22
      },
      conformers {
        {
          x {
            { 26464, 10, -4 },
            { 1732, 10, -3 },
            { 52622, 10, -4 },
            { 0, 10, 0 },
            { 25981, 10, -4 },
            { 1732, 10, -3 },
            { 25981, 10, -4 },
            { 3492, 10, -3 },
            { 3492, 10, -3 },
            { 866, 10, -3 },
            { 1732, 10, -3 },
            { 43981, 10, -4 },
            { 43981, 10, -4 },
            { 866, 10, -3 },
            { 34848, 10, -4 },
            { 34848, 10, -4 },
            { 3291, 10, -4 },
            { 1112, 10, -3 },
            { 1732, 10, -3 },
            { 23521, 10, -4 },
            { 49338, 10, -4 },
            { 58003, 10, -4 }
          },
          y {
            { 0, 10, 0 },
            { 61572, 10, -4 },
            { 61813, 10, -4 },
            { 61572, 10, -4 },
            { 46572, 10, -4 },
            { 41572, 10, -4 },
            { 56572, 10, -4 },
            { 41225, 10, -4 },
            { 61918, 10, -4 },
            { 46572, 10, -4 },
            { 31572, 10, -4 },
            { 46364, 10, -4 },
            { 5678, 10, -3 },
            { 56572, 10, -4 },
            { 35026, 10, -4 },
            { 68118, 10, -4 },
            { 43472, 10, -4 },
            { 31572, 10, -4 },
            { 25372, 10, -4 },
            { 31572, 10, -4 },
            { 43243, 10, -4 },
            { 58734, 10, -4 }
          },
          style {
            annotation {
              aromatic,
              aromatic,
              aromatic,
              aromatic,
              aromatic,
              aromatic,
              aromatic,
              aromatic,
              aromatic,
              aromatic,
              aromatic
            },
            aid1 {
              2,
              2,
              5,
              5,
              5,
              6,
              7,
              8,
              9,
              10,
              12
            },
            aid2 {
              7,
              14,
              6,
              7,
              8,
              10,
              9,
              12,
              13,
              14,
              13
            }
          }
        }
      }
    }
  },
  charge 0,
  props {
    {
      urn {
        label "Compound",
        name "Canonicalized",
        datatype uint,
        release "2010.01.29"
      },
      value ival 1
    },
    {
      urn {
        label "Compound Complexity",
        datatype double,
        implementation "E_COMPLEXITY",
        version "3.408",
        software "Cactvs",
        source "xemistry.com",
        release "2012.11.26"
      },
      value fval { 257, 10, 0 }
    },
    {
      urn {
        label "Count",
        name "Hydrogen Bond Acceptor",
        datatype uint,
        implementation "E_NHACCEPTORS",
        version "3.408",
        software "Cactvs",
        source "xemistry.com",
        release "2012.11.26"
      },
      value ival 3
    },
    {
      urn {
        label "Count",
        name "Hydrogen Bond Donor",
        datatype uint,
        implementation "E_NHDONORS",
        version "3.408",
        software "Cactvs",
        source "xemistry.com",
        release "2012.11.26"
      },
      value ival 1
    },
    {
      urn {
        label "Count",
        name "Rotatable Bond",
        datatype uint,
        implementation "E_NROTBONDS",
        version "3.408",
        software "Cactvs",
        source "xemistry.com",
        release "2012.11.26"
      },
      value ival 0
    },
    {
      urn {
        label "Fingerprint",
        name "SubStructure Keys",
        datatype fingerprint,
        parameters "extended 2",
        implementation "E_SCREEN",
        version "3.408",
        software "Cactvs",
        source "xemistry.com",
        release "2012.11.26"
      },
      value binary '00000371C0703020000000000000000000000000000000000000304000
000000000000810000001A00000800000C04809800320E80000600880220D20800020800202000
0888000608C80C272286311A827A20A5C01508B90780E0AC0E2000000800080000400000100010
0000000000000000'H
    },
    {
      urn {
        label "IUPAC Name",
        name "Allowed",
        datatype string,
        version "2.2.0",
        software "LexiChem",
        source "openeye.com",
        release "2012.11.26"
      },
      value sval "7-hydroxy-4-methyl-chromen-2-one;sodium"
    },
    {
      urn {
        label "IUPAC Name",
        name "CAS-like Style",
        datatype string,
        version "2.2.0",
        software "LexiChem",
        source "openeye.com",
        release "2012.11.26"
      },
      value sval "7-hydroxy-4-methyl-1-benzopyran-2-one;sodium"
    },
    {
      urn {
        label "IUPAC Name",
        name "Preferred",
        datatype string,
        version "2.2.0",
        software "LexiChem",
        source "openeye.com",
        release "2012.11.26"
      },
      value sval "7-hydroxy-4-methylchromen-2-one;sodium"
    },
    {
      urn {
        label "IUPAC Name",
        name "Systematic",
        datatype string,
        version "2.2.0",
        software "LexiChem",
        source "openeye.com",
        release "2012.11.26"
      },
      value sval "4-methyl-7-oxidanyl-chromen-2-one;sodium"
    },
    {
      urn {
        label "IUPAC Name",
        name "Traditional",
        datatype string,
        version "2.2.0",
        software "LexiChem",
        source "openeye.com",
        release "2012.11.26"
      },
      value sval "hymecromone;sodium"
    },
    {
      urn {
        label "InChI",
        name "Standard",
        datatype string,
        version "1.0.4",
        software "InChI",
        source "iupac.org",
        release "2012.11.26"
      },
      value sval "InChI=1S/C10H8O3.Na/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9;/h2-5
,11H,1H3;"
    },
    {
      urn {
        label "InChIKey",
        name "Standard",
        datatype string,
        version "1.0.4",
        software "InChI",
        source "iupac.org",
        release "2012.11.26"
      },
      value sval "KENPYGBXCKRFQR-UHFFFAOYSA-N"
    },
    {
      urn {
        label "Mass",
        name "Exact",
        datatype double,
        version "2.1",
        software "PubChem",
        source "ncbi.nlm.nih.gov",
        release "2012.11.26"
      },
      value fval { 199037113, 10, -6 }
    },
    {
      urn {
        label "Molecular Formula",
        datatype string,
        version "2.1",
        software "PubChem",
        source "ncbi.nlm.nih.gov",
        release "2012.11.26"
      },
      value sval "C10H8NaO3"
    },
    {
      urn {
        label "Molecular Weight",
        datatype double,
        version "2.1",
        software "PubChem",
        source "ncbi.nlm.nih.gov",
        release "2012.11.26"
      },
      value fval { 199158489, 10, -6 }
    },
    {
      urn {
        label "SMILES",
        name "Canonical",
        datatype string,
        version "1.9.0",
        software "OEChem",
        source "openeye.com",
        release "2012.11.26"
      },
      value sval "CC1=CC(=O)OC2=C1C=CC(=C2)O.[Na]"
    },
    {
      urn {
        label "SMILES",
        name "Isomeric",
        datatype string,
        version "1.9.0",
        software "OEChem",
        source "openeye.com",
        release "2012.11.26"
      },
      value sval "CC1=CC(=O)OC2=C1C=CC(=C2)O.[Na]"
    },
    {
      urn {
        label "Topological",
        name "Polar Surface Area",
        datatype double,
        implementation "E_TPSA",
        version "3.408",
        software "Cactvs",
        source "xemistry.com",
        release "2012.11.26"
      },
      value fval { 465, 10, -1 }
    },
    {
      urn {
        label "Weight",
        name "MonoIsotopic",
        datatype double,
        version "2.1",
        software "PubChem",
        source "ncbi.nlm.nih.gov",
        release "2012.11.26"
      },
      value fval { 199037113, 10, -6 }
    }
  },
  count {
    heavy-atom 14,
    atom-chiral 0,
    atom-chiral-def 0,
    atom-chiral-undef 0,
    bond-chiral 0,
    bond-chiral-def 0,
    bond-chiral-undef 0,
    isotope-atom 0,
    covalent-unit 2,
    tautomers 9
  }
}