KEGG   COMPOUND: C18107
Entry
C18107                      Compound                               
Name
1,2,3,4,7,8-Hexachlorodibenzofuran;
1,2,3,4,7,8-HxCDF;
PCDF 118
Formula
C12H2Cl6O
Exact mass
371.8237
Mol weight
374.8617
Structure
Pathway
map00621  Dioxin degradation
Brite
Endocrine disrupting compounds [BR:br08006]
 Dioxins and dioxin-like compounds
  PCDFs
   C18107  1,2,3,4,7,8-Hexachlorodibenzofuran (PCDF 118)
Other DBs
CAS: 70648-26-9
PubChem: 96024324
ChEBI: 81509
NIKKAJI: J364.338G
KCF data

ATOM        19
            1   C8y C    22.5400  -24.5000
            2   C8y C    22.5400  -25.9000
            3   O2x O    23.7300  -26.5300
            4   C8y C    24.8500  -25.9000
            5   C8y C    24.8500  -24.5000
            6   C8x C    21.3500  -23.8700
            7   C8y C    20.2300  -24.5000
            8   C8y C    20.2300  -25.9000
            9   C8x C    21.3500  -26.5300
            10  C8y C    26.0400  -26.5300
            11  C8y C    27.2300  -25.9000
            12  C8y C    27.2300  -24.5000
            13  C8y C    26.0400  -23.8700
            14  X   Cl   28.3500  -23.8700
            15  X   Cl   28.3500  -26.5300
            16  X   Cl   18.9700  -23.8700
            17  X   Cl   18.9700  -26.5300
            18  X   Cl   26.0400  -27.9300
            19  X   Cl   26.0400  -22.4700
BOND        21
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     1   5 1
            6     1   6 1
            7     6   7 2
            8     7   8 1
            9     8   9 2
            10    2   9 1
            11    4  10 1
            12   10  11 2
            13   11  12 1
            14   12  13 2
            15    5  13 1
            16   12  14 1
            17   11  15 1
            18    7  16 1
            19    8  17 1
            20   10  18 1
            21   13  19 1

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