PC-Compounds ::= {
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            style {
              annotation {
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    },
    charge 0,
    props {
      {
        urn {
          label "Compound",
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        },
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      {
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        },
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      {
        urn {
          label "Count",
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          software "Cactvs",
          source "Xemistry GmbH",
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      {
        urn {
          label "Count",
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          software "Cactvs",
          source "Xemistry GmbH",
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        },
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      {
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          label "Count",
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        },
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      {
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          software "Cactvs",
          source "Xemistry GmbH",
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        },
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00088801006CC818263A80B599A0318066C0010CE9C798C8E08E08000200000200001000040000
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      },
      {
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          label "IUPAC Name",
          name "Allowed",
          datatype string,
          version "2.7.0",
          software "Lexichem TK",
          source "OpenEye Scientific Software",
          release "2021.10.14"
        },
        value sval "2-hexadecoxy-6-methyl-3,1-benzoxazin-4-one"
      },
      {
        urn {
          label "IUPAC Name",
          name "CAS-like Style",
          datatype string,
          version "2.7.0",
          software "Lexichem TK",
          source "OpenEye Scientific Software",
          release "2021.10.14"
        },
        value sval "2-hexadecoxy-6-methyl-3,1-benzoxazin-4-one"
      },
      {
        urn {
          label "IUPAC Name",
          name "Markup",
          datatype string,
          version "2.7.0",
          software "Lexichem TK",
          source "OpenEye Scientific Software",
          release "2021.10.14"
        },
        value sval "2-hexadecoxy-6-methyl-3,1-benzoxazin-4-one"
      },
      {
        urn {
          label "IUPAC Name",
          name "Preferred",
          datatype string,
          version "2.7.0",
          software "Lexichem TK",
          source "OpenEye Scientific Software",
          release "2021.10.14"
        },
        value sval "2-hexadecoxy-6-methyl-3,1-benzoxazin-4-one"
      },
      {
        urn {
          label "IUPAC Name",
          name "Systematic",
          datatype string,
          version "2.7.0",
          software "Lexichem TK",
          source "OpenEye Scientific Software",
          release "2021.10.14"
        },
        value sval "2-hexadecoxy-6-methyl-3,1-benzoxazin-4-one"
      },
      {
        urn {
          label "IUPAC Name",
          name "Traditional",
          datatype string,
          version "2.7.0",
          software "Lexichem TK",
          source "OpenEye Scientific Software",
          release "2021.10.14"
        },
        value sval "2-cetyloxy-6-methyl-3,1-benzoxazin-4-one"
      },
      {
        urn {
          label "InChI",
          name "Standard",
          datatype string,
          version "1.0.6",
          software "InChI",
          source "iupac.org",
          release "2021.10.14"
        },
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      },
      {
        urn {
          label "InChIKey",
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        },
        value sval "MVCQKIKWYUURMU-UHFFFAOYSA-N"
      },
      {
        urn {
          label "Log P",
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          version "3.0",
          source "sioc-ccbg.ac.cn",
          release "2021.10.14"
        },
        value fval { 98, 10, -1 }
      },
      {
        urn {
          label "Mass",
          name "Exact",
          datatype string,
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          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.10.14"
        },
        value sval "401.29299411"
      },
      {
        urn {
          label "Molecular Formula",
          datatype string,
          version "2.2",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.10.14"
        },
        value sval "C25H39NO3"
      },
      {
        urn {
          label "Molecular Weight",
          datatype string,
          version "2.2",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.10.14"
        },
        value sval "401.6"
      },
      {
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          software "OEChem",
          source "OpenEye Scientific Software",
          release "2021.10.14"
        },
        value sval "CCCCCCCCCCCCCCCCOC1=NC2=C(C=C(C=C2)C)C(=O)O1"
      },
      {
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          label "SMILES",
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          software "OEChem",
          source "OpenEye Scientific Software",
          release "2021.10.14"
        },
        value sval "CCCCCCCCCCCCCCCCOC1=NC2=C(C=C(C=C2)C)C(=O)O1"
      },
      {
        urn {
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          datatype double,
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          source "Xemistry GmbH",
          release "2021.10.14"
        },
        value fval { 479, 10, -1 }
      },
      {
        urn {
          label "Weight",
          name "MonoIsotopic",
          datatype string,
          version "2.2",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.10.14"
        },
        value sval "401.29299411"
      }
    },
    count {
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      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers -1
    }
  }
}