PC-Compound ::= {
  id {
    id cid 92283
  },
  atoms {
    aid {
      1,
      2,
      3,
      4,
      5,
      6,
      7,
      8,
      9,
      10,
      11,
      12,
      13,
      14,
      15,
      16,
      17,
      18,
      19,
      20
    },
    element {
      o,
      o,
      o,
      o,
      o,
      o,
      c,
      c,
      c,
      c,
      c,
      c,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h
    }
  },
  bonds {
    aid1 {
      1,
      1,
      2,
      2,
      3,
      3,
      4,
      4,
      5,
      6,
      7,
      7,
      7,
      8,
      8,
      9,
      9,
      10,
      10,
      12
    },
    aid2 {
      7,
      11,
      8,
      17,
      9,
      19,
      10,
      20,
      11,
      12,
      8,
      10,
      13,
      9,
      14,
      11,
      15,
      12,
      16,
      18
    },
    order {
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      double,
      double,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single
    }
  },
  stereo {
    tetrahedral {
      center 7,
      above 1,
      top 8,
      bottom 10,
      below 13,
      parity clockwise,
      type tetrahedral
    },
    tetrahedral {
      center 8,
      above 2,
      top 7,
      bottom 9,
      below 14,
      parity clockwise,
      type tetrahedral
    },
    tetrahedral {
      center 9,
      above 3,
      top 8,
      bottom 11,
      below 15,
      parity clockwise,
      type tetrahedral
    },
    tetrahedral {
      center 10,
      above 4,
      top 12,
      bottom 7,
      below 16,
      parity counterclockwise,
      type tetrahedral
    }
  },
  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
      },
      conformers {
        {
          x {
            { 50298, 10, -4 },
            { 24608, 10, -4 },
            { 3133, 10, -3 },
            { 33548, 10, -4 },
            { 53086, 10, -4 },
            { 50868, 10, -4 },
            { 42208, 10, -4 },
            { 34118, 10, -4 },
            { 37208, 10, -4 },
            { 42208, 10, -4 },
            { 47208, 10, -4 },
            { 50868, 10, -4 },
            { 49782, 10, -4 },
            { 29734, 10, -4 },
            { 31085, 10, -4 },
            { 42208, 10, -4 },
            { 2, 10, 0 },
            { 56238, 10, -4 },
            { 33852, 10, -4 },
            { 33548, 10, -4 }
          },
          y {
            { -3807, 10, -4 },
            { -716, 10, -4 },
            { -21407, 10, -4 },
            { 17071, 10, -4 },
            { -21407, 10, -4 },
            { 27071, 10, -4 },
            { 2071, 10, -4 },
            { -3807, 10, -4 },
            { -13317, 10, -4 },
            { 12071, 10, -4 },
            { -13317, 10, -4 },
            { 17071, 10, -4 },
            { 593, 10, -3 },
            { -8191, 10, -4 },
            { -12347, 10, -4 },
            { 18271, 10, -4 },
            { -4865, 10, -4 },
            { 13971, 10, -4 },
            { -27071, 10, -4 },
            { 23271, 10, -4 }
          },
          style {
            annotation {
              wedge-down,
              wedge-up,
              wedge-up,
              wedge-up
            },
            aid1 {
              7,
              8,
              9,
              10
            },
            aid2 {
              13,
              2,
              3,
              4
            }
          }
        }
      }
    }
  },
  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 "3.384",
        software "Cactvs",
        source "xemistry.com",
        release "2011.09.13"
      },
      value fval { 202, 10, 0 }
    },
    {
      urn {
        label "Count",
        name "Hydrogen Bond Acceptor",
        datatype uint,
        implementation "E_NHACCEPTORS",
        version "3.384",
        software "Cactvs",
        source "xemistry.com",
        release "2011.09.13"
      },
      value ival 6
    },
    {
      urn {
        label "Count",
        name "Hydrogen Bond Donor",
        datatype uint,
        implementation "E_NHDONORS",
        version "3.384",
        software "Cactvs",
        source "xemistry.com",
        release "2011.09.13"
      },
      value ival 3
    },
    {
      urn {
        label "Count",
        name "Rotatable Bond",
        datatype uint,
        implementation "E_NROTBONDS",
        version "3.384",
        software "Cactvs",
        source "xemistry.com",
        release "2011.09.13"
      },
      value ival 2
    },
    {
      urn {
        label "Fingerprint",
        name "SubStructure Keys",
        datatype fingerprint,
        parameters "extended 2",
        implementation "E_SCREEN",
        version "3.384",
        software "Cactvs",
        source "xemistry.com",
        release "2011.09.13"
      },
      value binary '00000371C0603800000000000000000000000000000120000000000000
000000000000000000001A00000800000814A08002000800000600080008908802000000000000
000001400000011016000000024000052000030001CA6C04400000000000000000000000000000
0000000000000000'H
    },
    {
      urn {
        label "IUPAC Name",
        name "Allowed",
        datatype string,
        version "2.0.2",
        software "LexiChem",
        source "openeye.com",
        release "2011.09.13"
      },
      value sval "(2R)-2-[(2S,3R,4S)-3,4-dihydroxy-5-oxo-tetrahydrofuran-2-yl]
-2-hydroxy-acetaldehyde"
    },
    {
      urn {
        label "IUPAC Name",
        name "CAS-like Style",
        datatype string,
        version "2.0.2",
        software "LexiChem",
        source "openeye.com",
        release "2011.09.13"
      },
      value sval "(2R)-2-[(2S,3R,4S)-3,4-dihydroxy-5-oxo-2-oxolanyl]-2-hydroxy
acetaldehyde"
    },
    {
      urn {
        label "IUPAC Name",
        name "Preferred",
        datatype string,
        version "2.0.2",
        software "LexiChem",
        source "openeye.com",
        release "2011.09.13"
      },
      value sval "(2R)-2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxy
acetaldehyde"
    },
    {
      urn {
        label "IUPAC Name",
        name "Systematic",
        datatype string,
        version "2.0.2",
        software "LexiChem",
        source "openeye.com",
        release "2011.09.13"
      },
      value sval "(2R)-2-[(2S,3R,4S)-3,4-bis(oxidanyl)-5-oxidanylidene-oxolan-
2-yl]-2-oxidanyl-ethanal"
    },
    {
      urn {
        label "IUPAC Name",
        name "Traditional",
        datatype string,
        version "2.0.2",
        software "LexiChem",
        source "openeye.com",
        release "2011.09.13"
      },
      value sval "(2R)-2-[(2S,3R,4S)-3,4-dihydroxy-5-keto-tetrahydrofuran-2-yl
]-2-hydroxy-acetaldehyde"
    },
    {
      urn {
        label "InChI",
        name "Standard",
        datatype string,
        version "1.0.3",
        software "InChI",
        source "nist.gov",
        release "2011.09.13"
      },
      value sval "InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h1-5,8-10H/t2-
,3+,4-,5+/m0/s1"
    },
    {
      urn {
        label "InChIKey",
        name "Standard",
        datatype string,
        version "1.0.3",
        software "InChI",
        source "nist.gov",
        release "2011.09.13"
      },
      value sval "UYUXSRADSPPKRZ-SKNVOMKLSA-N"
    },
    {
      urn {
        label "Log P",
        name "XLogP3-AA",
        datatype double,
        version "3.0",
        source "sioc-ccbg.ac.cn",
        release "2011.09.13"
      },
      value fval { -18, 10, -1 }
    },
    {
      urn {
        label "Mass",
        name "Exact",
        datatype double,
        version "2.1",
        software "PubChem",
        source "ncbi.nlm.nih.gov",
        release "2011.09.13"
      },
      value fval { 176032088, 10, -6 }
    },
    {
      urn {
        label "Molecular Formula",
        datatype string,
        version "2.1",
        software "PubChem",
        source "ncbi.nlm.nih.gov",
        release "2011.09.13"
      },
      value sval "C6H8O6"
    },
    {
      urn {
        label "Molecular Weight",
        datatype double,
        version "2.1",
        software "PubChem",
        source "ncbi.nlm.nih.gov",
        release "2011.09.13"
      },
      value fval { 17612412, 10, -5 }
    },
    {
      urn {
        label "SMILES",
        name "Canonical",
        datatype string,
        version "1.7.4",
        software "OEChem",
        source "openeye.com",
        release "2011.09.13"
      },
      value sval "C(=O)C(C1C(C(C(=O)O1)O)O)O"
    },
    {
      urn {
        label "SMILES",
        name "Isomeric",
        datatype string,
        version "1.7.4",
        software "OEChem",
        source "openeye.com",
        release "2011.09.13"
      },
      value sval "C(=O)[C@@H]([C@@H]1[C@@H]([C@@H](C(=O)O1)O)O)O"
    },
    {
      urn {
        label "Topological",
        name "Polar Surface Area",
        datatype double,
        implementation "E_TPSA",
        version "3.384",
        software "Cactvs",
        source "xemistry.com",
        release "2011.09.13"
      },
      value fval { 104, 10, 0 }
    },
    {
      urn {
        label "Weight",
        name "MonoIsotopic",
        datatype double,
        version "2.1",
        software "PubChem",
        source "ncbi.nlm.nih.gov",
        release "2011.09.13"
      },
      value fval { 176032088, 10, -6 }
    }
  },
  count {
    heavy-atom 12,
    atom-chiral 4,
    atom-chiral-def 4,
    atom-chiral-undef 0,
    bond-chiral 0,
    bond-chiral-def 0,
    bond-chiral-undef 0,
    isotope-atom 0,
    covalent-unit 1,
    tautomers 23
  }
}