PC-Compounds ::= {
  {
    id {
      id cid 70693180
    },
    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,
        32,
        33,
        34,
        35,
        36,
        37,
        38,
        39,
        40,
        41,
        42,
        43,
        44,
        45,
        46,
        47,
        48,
        49,
        50,
        51,
        52,
        53,
        54,
        55,
        56,
        57,
        58,
        59,
        60,
        61,
        62,
        63,
        64,
        65,
        66,
        67,
        68
      },
      element {
        o,
        o,
        o,
        o,
        o,
        o,
        o,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      }
    },
    bonds {
      aid1 {
        1,
        1,
        2,
        2,
        3,
        3,
        4,
        4,
        5,
        5,
        6,
        6,
        7,
        8,
        8,
        9,
        9,
        10,
        10,
        10,
        11,
        12,
        14,
        15,
        16,
        16,
        17,
        17,
        18,
        19,
        19,
        20,
        21,
        22,
        23,
        23,
        23,
        24,
        24,
        24,
        25,
        25,
        25,
        26,
        26,
        26,
        27,
        27,
        27,
        28,
        28,
        28,
        29,
        29,
        29,
        30,
        30,
        30,
        31,
        31,
        31,
        32,
        32,
        32,
        33,
        33,
        33,
        34,
        34,
        34
      },
      aid2 {
        8,
        12,
        11,
        23,
        14,
        24,
        18,
        27,
        20,
        28,
        15,
        59,
        13,
        9,
        11,
        14,
        17,
        12,
        13,
        15,
        13,
        16,
        19,
        21,
        18,
        35,
        22,
        36,
        21,
        20,
        37,
        22,
        38,
        39,
        25,
        40,
        41,
        26,
        42,
        43,
        31,
        44,
        45,
        32,
        46,
        47,
        29,
        48,
        49,
        30,
        50,
        51,
        33,
        52,
        53,
        34,
        54,
        55,
        56,
        57,
        58,
        60,
        61,
        62,
        63,
        64,
        65,
        66,
        67,
        68
      },
      order {
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        double,
        double,
        single,
        single,
        single,
        double,
        single,
        double,
        single,
        single,
        single,
        single,
        double,
        single,
        double,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        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,
          23,
          24,
          25,
          26,
          27,
          28,
          29,
          30,
          31,
          32,
          33,
          34,
          35,
          36,
          37,
          38,
          39,
          40,
          41,
          42,
          43,
          44,
          45,
          46,
          47,
          48,
          49,
          50,
          51,
          52,
          53,
          54,
          55,
          56,
          57,
          58,
          59,
          60,
          61,
          62,
          63,
          64,
          65,
          66,
          67,
          68
        },
        conformers {
          {
            x {
              { 81301, 10, -4 },
              { 98622, 10, -4 },
              { 89961, 10, -4 },
              { 46, 10, -1 },
              { 124602, 10, -4 },
              { 63817, 10, -4 },
              { 81301, 10, -4 },
              { 89961, 10, -4 },
              { 98622, 10, -4 },
              { 72641, 10, -4 },
              { 89961, 10, -4 },
              { 72641, 10, -4 },
              { 81301, 10, -4 },
              { 98622, 10, -4 },
              { 63701, 10, -4 },
              { 63701, 10, -4 },
              { 107282, 10, -4 },
              { 54641, 10, -4 },
              { 107282, 10, -4 },
              { 115942, 10, -4 },
              { 54641, 10, -4 },
              { 115942, 10, -4 },
              { 98622, 10, -4 },
              { 89961, 10, -4 },
              { 107282, 10, -4 },
              { 81301, 10, -4 },
              { 3732, 10, -3 },
              { 133263, 10, -4 },
              { 2868, 10, -3 },
              { 141923, 10, -4 },
              { 107282, 10, -4 },
              { 81301, 10, -4 },
              { 2, 10, 0 },
              { 150583, 10, -4 },
              { 63773, 10, -4 },
              { 107282, 10, -4 },
              { 107282, 10, -4 },
              { 49283, 10, -4 },
              { 121311, 10, -4 },
              { 96501, 10, -4 },
              { 92516, 10, -4 },
              { 92082, 10, -4 },
              { 96067, 10, -4 },
              { 109402, 10, -4 },
              { 113388, 10, -4 },
              { 79181, 10, -4 },
              { 75195, 10, -4 },
              { 41287, 10, -4 },
              { 33317, 10, -4 },
              { 137248, 10, -4 },
              { 129277, 10, -4 },
              { 24712, 10, -4 },
              { 32683, 10, -4 },
              { 137938, 10, -4 },
              { 145908, 10, -4 },
              { 113482, 10, -4 },
              { 107282, 10, -4 },
              { 101082, 10, -4 },
              { 58484, 10, -4 },
              { 75101, 10, -4 },
              { 81301, 10, -4 },
              { 87501, 10, -4 },
              { 23079, 10, -4 },
              { 14619, 10, -4 },
              { 16921, 10, -4 },
              { 153683, 10, -4 },
              { 155952, 10, -4 },
              { 147483, 10, -4 }
            },
            y {
              { -25, 10, -2 },
              { 175, 10, -2 },
              { -175, 10, -2 },
              { -2742, 10, -4 },
              { -175, 10, -2 },
              { 27846, 10, -4 },
              { 275, 10, -2 },
              { 25, 10, -2 },
              { -25, 10, -2 },
              { 125, 10, -2 },
              { 125, 10, -2 },
              { 25, 10, -2 },
              { 175, 10, -2 },
              { -125, 10, -2 },
              { 17847, 10, -4 },
              { -2847, 10, -4 },
              { 25, 10, -2 },
              { 2292, 10, -4 },
              { -175, 10, -2 },
              { -125, 10, -2 },
              { 12708, 10, -4 },
              { -25, 10, -2 },
              { 275, 10, -2 },
              { -275, 10, -2 },
              { 325, 10, -2 },
              { -325, 10, -2 },
              { 2225, 10, -4 },
              { -125, 10, -2 },
              { -2808, 10, -4 },
              { -175, 10, -2 },
              { 425, 10, -2 },
              { -425, 10, -2 },
              { 2158, 10, -4 },
              { -125, 10, -2 },
              { -9046, 10, -4 },
              { 87, 10, -2 },
              { -237, 10, -2 },
              { 15829, 10, -4 },
              { 6, 10, -2 },
              { 33326, 10, -4 },
              { 26423, 10, -4 },
              { -33326, 10, -4 },
              { -26423, 10, -4 },
              { 26674, 10, -4 },
              { 33577, 10, -4 },
              { -26674, 10, -4 },
              { -33577, 10, -4 },
              { 699, 10, -3 },
              { 6959, 10, -4 },
              { -7751, 10, -4 },
              { -7751, 10, -4 },
              { -7573, 10, -4 },
              { -7542, 10, -4 },
              { -2225, 10, -3 },
              { -2225, 10, -3 },
              { 425, 10, -2 },
              { 487, 10, -2 },
              { 425, 10, -2 },
              { 31008, 10, -4 },
              { -425, 10, -2 },
              { -487, 10, -2 },
              { -425, 10, -2 },
              { 754, 10, -3 },
              { 5238, 10, -4 },
              { -3223, 10, -4 },
              { -17869, 10, -4 },
              { -94, 10, -2 },
              { -7131, 10, -4 }
            },
            style {
              annotation {
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic
              },
              aid1 {
                1,
                1,
                8,
                9,
                9,
                10,
                10,
                10,
                11,
                12,
                14,
                15,
                16,
                17,
                18,
                19,
                20
              },
              aid2 {
                8,
                12,
                11,
                14,
                17,
                12,
                13,
                15,
                13,
                16,
                19,
                21,
                18,
                22,
                21,
                20,
                22
              }
            }
          }
        }
      }
    },
    charge 0,
    props {
      {
        urn {
          label "Compound",
          name "Canonicalized",
          datatype uint,
          release "2012.11.26"
        },
        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 { 663, 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 7
      },
      {
        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 1
      },
      {
        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 13
      },
      {
        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 '00000371F07838000000000000000000000000000000000000003060
80000000000000814000001A00000800000C04A098023206800006008802A05200020208002420
000888014608C80C273686351E827960A5E01508B907C8ECACCE20000008000800004000001000
100000000000000000'H
      },
      {
        urn {
          label "IUPAC Name",
          name "Allowed",
          datatype string,
          version "2.6.6",
          software "LexiChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "2-(2,4-dipropoxyphenyl)-5-hydroxy-3,7-dipropoxy-chromen-4-
one"
      },
      {
        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 "2-(2,4-dipropoxyphenyl)-5-hydroxy-3,7-dipropoxy-1-benzopyr
an-4-one"
      },
      {
        urn {
          label "IUPAC Name",
          name "Markup",
          datatype string,
          version "2.6.6",
          software "LexiChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "2-(2,4-dipropoxyphenyl)-5-hydroxy-3,7-dipropoxychromen-4-o
ne"
      },
      {
        urn {
          label "IUPAC Name",
          name "Preferred",
          datatype string,
          version "2.6.6",
          software "LexiChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "2-(2,4-dipropoxyphenyl)-5-hydroxy-3,7-dipropoxychromen-4-o
ne"
      },
      {
        urn {
          label "IUPAC Name",
          name "Systematic",
          datatype string,
          version "2.6.6",
          software "LexiChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "2-(2,4-dipropoxyphenyl)-5-oxidanyl-3,7-dipropoxy-chromen-4
-one"
      },
      {
        urn {
          label "IUPAC Name",
          name "Traditional",
          datatype string,
          version "2.6.6",
          software "LexiChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "2-(2,4-dipropoxyphenyl)-5-hydroxy-3,7-dipropoxy-chromone"
      },
      {
        urn {
          label "InChI",
          name "Standard",
          datatype string,
          version "1.0.5",
          software "InChI",
          source "iupac.org",
          release "2019.06.18"
        },
        value sval "InChI=1S/C27H34O7/c1-5-11-30-18-9-10-20(22(16-18)32-13-7-3
)26-27(33-14-8-4)25(29)24-21(28)15-19(31-12-6-2)17-23(24)34-26/h9-10,15-17,28H
,5-8,11-14H2,1-4H3"
      },
      {
        urn {
          label "InChIKey",
          name "Standard",
          datatype string,
          version "1.0.5",
          software "InChI",
          source "iupac.org",
          release "2019.06.18"
        },
        value sval "KSXLPYLSPPHSKZ-UHFFFAOYSA-N"
      },
      {
        urn {
          label "Log P",
          name "XLogP3",
          datatype double,
          version "3.0",
          source "sioc-ccbg.ac.cn",
          release "2019.06.18"
        },
        value fval { 64, 10, -1 }
      },
      {
        urn {
          label "Mass",
          name "Exact",
          datatype string,
          version "2.1",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.05.07"
        },
        value sval "470.23045342"
      },
      {
        urn {
          label "Molecular Formula",
          datatype string,
          version "2.1",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2019.06.18"
        },
        value sval "C27H34O7"
      },
      {
        urn {
          label "Molecular Weight",
          datatype string,
          version "2.1",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.05.07"
        },
        value sval "470.6"
      },
      {
        urn {
          label "SMILES",
          name "Canonical",
          datatype string,
          version "2.1.5",
          software "OEChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "CCCOC1=CC(=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OCCC)O)OCCC)OC
CC"
      },
      {
        urn {
          label "SMILES",
          name "Isomeric",
          datatype string,
          version "2.1.5",
          software "OEChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "CCCOC1=CC(=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OCCC)O)OCCC)OC
CC"
      },
      {
        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 { 834, 10, -1 }
      },
      {
        urn {
          label "Weight",
          name "MonoIsotopic",
          datatype string,
          version "2.1",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.05.07"
        },
        value sval "470.23045342"
      }
    },
    count {
      heavy-atom 34,
      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 1,
      tautomers -1
    }
  }
}