PC-Compounds ::= {
  {
    id {
      id cid 113608
    },
    atoms {
      aid {
        1,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
        14,
        15,
        16,
        17,
        18,
        19,
        20,
        21,
        22,
        23,
        24,
        25,
        26,
        27,
        28,
        29,
        30,
        31
      },
      element {
        si,
        o,
        o,
        o,
        o,
        o,
        o,
        o,
        o,
        o,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      }
    },
    bonds {
      aid1 {
        1,
        1,
        1,
        1,
        2,
        2,
        3,
        4,
        4,
        5,
        5,
        6,
        6,
        7,
        7,
        8,
        9,
        10,
        11,
        11,
        11,
        12,
        12,
        13,
        13,
        14,
        15,
        15,
        17,
        17,
        17
      },
      aid2 {
        3,
        8,
        9,
        17,
        14,
        15,
        14,
        11,
        23,
        12,
        24,
        13,
        25,
        16,
        29,
        30,
        31,
        16,
        12,
        13,
        18,
        14,
        19,
        15,
        20,
        21,
        16,
        22,
        26,
        27,
        28
      },
      order {
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 11,
        above 4,
        top 12,
        bottom 13,
        below 18,
        parity any,
        type tetrahedral
      },
      tetrahedral {
        center 12,
        above 5,
        top 11,
        bottom 14,
        below 19,
        parity any,
        type tetrahedral
      },
      tetrahedral {
        center 13,
        above 6,
        top 11,
        bottom 15,
        below 20,
        parity any,
        type tetrahedral
      },
      tetrahedral {
        center 14,
        above 2,
        top 3,
        bottom 12,
        below 21,
        parity any,
        type tetrahedral
      },
      tetrahedral {
        center 15,
        above 2,
        top 13,
        bottom 16,
        below 22,
        parity any,
        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,
          21,
          22,
          23,
          24,
          25,
          26,
          27,
          28,
          29,
          30,
          31
        },
        conformers {
          {
            x {
              { 63301, 10, -4 },
              { 45981, 10, -4 },
              { 63301, 10, -4 },
              { 45981, 10, -4 },
              { 63301, 10, -4 },
              { 2866, 10, -3 },
              { 2866, 10, -3 },
              { 63301, 10, -4 },
              { 73301, 10, -4 },
              { 2, 10, 0 },
              { 45981, 10, -4 },
              { 54641, 10, -4 },
              { 3732, 10, -3 },
              { 54641, 10, -4 },
              { 3732, 10, -3 },
              { 2866, 10, -3 },
              { 53301, 10, -4 },
              { 40611, 10, -4 },
              { 54641, 10, -4 },
              { 31951, 10, -4 },
              { 54641, 10, -4 },
              { 3732, 10, -3 },
              { 5135, 10, -3 },
              { 68671, 10, -4 },
              { 2866, 10, -3 },
              { 53301, 10, -4 },
              { 47101, 10, -4 },
              { 53301, 10, -4 },
              { 23291, 10, -4 },
              { 68671, 10, -4 },
              { 76401, 10, -4 }
            },
            y {
              { 15, 10, -1 },
              { 5, 10, -1 },
              { 5, 10, -1 },
              { -25, 10, -1 },
              { -15, 10, -1 },
              { -15, 10, -1 },
              { 15, 10, -1 },
              { 25, 10, -1 },
              { 15, 10, -1 },
              { 0, 10, 0 },
              { -15, 10, -1 },
              { -1, 10, 0 },
              { -1, 10, 0 },
              { -0, 10, 0 },
              { -0, 10, 0 },
              { 5, 10, -1 },
              { 15, 10, -1 },
              { -181, 10, -2 },
              { -162, 10, -2 },
              { -69, 10, -2 },
              { 62, 10, -2 },
              { 62, 10, -2 },
              { -281, 10, -2 },
              { -119, 10, -2 },
              { -212, 10, -2 },
              { 212, 10, -2 },
              { 15, 10, -1 },
              { 88, 10, -2 },
              { 181, 10, -2 },
              { 281, 10, -2 },
              { 9631, 10, -4 }
            },
            style {
              annotation {
                wavy,
                wavy,
                wavy,
                wavy,
                wavy
              },
              aid1 {
                11,
                12,
                13,
                14,
                15
              },
              aid2 {
                4,
                5,
                6,
                3,
                16
              }
            }
          }
        }
      }
    },
    charge 0,
    props {
      {
        urn {
          label "Compound",
          name "Canonicalized",
          datatype uint,
          release "2019.01.04"
        },
        value ival 1
      },
      {
        urn {
          label "Compound Complexity",
          datatype double,
          implementation "E_COMPLEXITY",
          version "3.4.6.11",
          software "Cactvs",
          source "xemistry.com",
          release "2019.06.18"
        },
        value fval { 295, 10, 0 }
      },
      {
        urn {
          label "Count",
          name "Hydrogen Bond Acceptor",
          datatype uint,
          implementation "E_NHACCEPTORS",
          version "3.4.6.11",
          software "Cactvs",
          source "xemistry.com",
          release "2019.06.18"
        },
        value ival 9
      },
      {
        urn {
          label "Count",
          name "Hydrogen Bond Donor",
          datatype uint,
          implementation "E_NHDONORS",
          version "3.4.6.11",
          software "Cactvs",
          source "xemistry.com",
          release "2019.06.18"
        },
        value ival 6
      },
      {
        urn {
          label "Count",
          name "Rotatable Bond",
          datatype uint,
          implementation "E_NROTBONDS",
          version "3.4.6.11",
          software "Cactvs",
          source "xemistry.com",
          release "2019.06.18"
        },
        value ival 3
      },
      {
        urn {
          label "Fingerprint",
          name "SubStructure Keys",
          datatype fingerprint,
          parameters "extended 2",
          implementation "E_SCREEN",
          version "3.4.6.11",
          software "Cactvs",
          source "xemistry.com",
          release "2019.06.18"
        },
        value binary '00000371C0603C080000000000000000000000000000000000002400
00000000000000000000001A10000840000814B080034208000006000800009008020000000000
00000001400000111016000004024000052000070001CA6C044000000000000000000000000000
000000000000000000'H
      },
      {
        urn {
          label "IUPAC Name",
          name "Allowed",
          datatype string,
          version "2.6.6",
          software "LexiChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "6-[dihydroxy(methyl)silyl]oxy-3,4,5-trihydroxy-tetrahydrop
yran-2-carboxylic acid"
      },
      {
        urn {
          label "IUPAC Name",
          name "CAS-like Style",
          datatype string,
          version "2.6.6",
          software "LexiChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "6-[dihydroxy(methyl)silyl]oxy-3,4,5-trihydroxy-2-oxanecarb
oxylic acid"
      },
      {
        urn {
          label "IUPAC Name",
          name "Markup",
          datatype string,
          version "2.6.6",
          software "LexiChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "6-[dihydroxy(methyl)silyl]oxy-3,4,5-trihydroxyoxane-2-carb
oxylic acid"
      },
      {
        urn {
          label "IUPAC Name",
          name "Preferred",
          datatype string,
          version "2.6.6",
          software "LexiChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "6-[dihydroxy(methyl)silyl]oxy-3,4,5-trihydroxyoxane-2-carb
oxylic acid"
      },
      {
        urn {
          label "IUPAC Name",
          name "Systematic",
          datatype string,
          version "2.6.6",
          software "LexiChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "6-[methyl-bis(oxidanyl)silyl]oxy-3,4,5-tris(oxidanyl)oxane
-2-carboxylic acid"
      },
      {
        urn {
          label "IUPAC Name",
          name "Traditional",
          datatype string,
          version "2.6.6",
          software "LexiChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "6-[dihydroxy(methyl)silyl]oxy-3,4,5-trihydroxy-tetrahydrop
yran-2-carboxylic acid"
      },
      {
        urn {
          label "InChI",
          name "Standard",
          datatype string,
          version "1.0.5",
          software "InChI",
          source "iupac.org",
          release "2019.06.18"
        },
        value sval "InChI=1S/C7H14O9Si/c1-17(13,14)16-7-4(10)2(8)3(9)5(15-7)6(
11)12/h2-5,7-10,13-14H,1H3,(H,11,12)"
      },
      {
        urn {
          label "InChIKey",
          name "Standard",
          datatype string,
          version "1.0.5",
          software "InChI",
          source "iupac.org",
          release "2019.06.18"
        },
        value sval "WMGVTFWUDZXSKP-UHFFFAOYSA-N"
      },
      {
        urn {
          label "Mass",
          name "Exact",
          datatype string,
          version "2.1",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.05.07"
        },
        value sval "270.04070855"
      },
      {
        urn {
          label "Molecular Formula",
          datatype string,
          version "2.1",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2019.06.18"
        },
        value sval "C7H14O9Si"
      },
      {
        urn {
          label "Molecular Weight",
          datatype string,
          version "2.1",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.05.07"
        },
        value sval "270.27"
      },
      {
        urn {
          label "SMILES",
          name "Canonical",
          datatype string,
          version "2.1.5",
          software "OEChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "C[Si](O)(O)OC1C(C(C(C(O1)C(=O)O)O)O)O"
      },
      {
        urn {
          label "SMILES",
          name "Isomeric",
          datatype string,
          version "2.1.5",
          software "OEChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "C[Si](O)(O)OC1C(C(C(C(O1)C(=O)O)O)O)O"
      },
      {
        urn {
          label "Topological",
          name "Polar Surface Area",
          datatype double,
          implementation "E_TPSA",
          version "3.4.6.11",
          software "Cactvs",
          source "xemistry.com",
          release "2019.06.18"
        },
        value fval { 157, 10, 0 }
      },
      {
        urn {
          label "Weight",
          name "MonoIsotopic",
          datatype string,
          version "2.1",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.05.07"
        },
        value sval "270.04070855"
      }
    },
    count {
      heavy-atom 17,
      atom-chiral 5,
      atom-chiral-def 0,
      atom-chiral-undef 5,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers -1
    }
  }
}