KEGG   COMPOUND: C16807Help
Entry
C16807                      Compound                               

Name
Difenacoum
Formula
C31H24O3
Exact mass
444.1725
Mol weight
444.5205
Structure
Mol fileKCF fileDB search
Brite
Pesticides [BR:br08007]
 Pesticides
  Rodenticides
   Coumarin rodenticides
    C16807  Difenacoum
BRITE hierarchy
Other DBs
CAS: 56073-07-5
PubChem: 96023331
ChEBI: 80743
NIKKAJI: J11.112K
LinkDB All DBs
KCF data Show

ATOM        34
            1   C8y C    15.8200  -26.2500
            2   C8y C    15.8200  -24.8500
            3   C8x C    14.6076  -24.1500
            4   C8x C    13.3951  -24.8500
            5   C8x C    13.3951  -26.2500
            6   C8x C    14.6076  -26.9500
            7   C8y C    17.0324  -26.9500
            8   C8y C    18.2449  -26.2500
            9   C8y C    18.2449  -24.8500
            10  O7x O    17.0324  -24.1500
            11  O6a O    19.4760  -24.1390
            12  O1a O    17.0324  -28.3498
            13  C1y C    19.4760  -26.9610
            14  C8y C    19.4757  -28.3499
            15  C8y C    20.6880  -29.0502
            16  C1x C    21.9006  -28.3505
            17  C1y C    21.9009  -26.9616
            18  C1x C    20.6886  -26.2613
            19  C8x C    18.2631  -29.0496
            20  C8x C    18.2628  -30.4496
            21  C8x C    19.4750  -31.1499
            22  C8x C    20.6876  -30.4502
            23  C8y C    23.1253  -26.2551
            24  C8x C    24.3163  -26.9433
            25  C8x C    25.5290  -26.2437
            26  C8y C    25.5295  -24.8437
            27  C8x C    24.3386  -24.1555
            28  C8x C    23.1259  -24.8551
            29  C8y C    26.7547  -24.1368
            30  C8x C    27.9615  -24.8340
            31  C8x C    29.1742  -24.1344
            32  C8x C    29.1746  -22.7344
            33  C8x C    27.9678  -22.0372
            34  C8x C    26.7551  -22.7368
BOND        39
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     1   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 1
            11    2  10 1
            12    9  11 2
            13    7  12 1
            14    8  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   13  18 1
            21   14  19 2
            22   19  20 1
            23   20  21 2
            24   21  22 1
            25   15  22 2
            26   17  23 1
            27   23  24 2
            28   24  25 1
            29   25  26 2
            30   26  27 1
            31   27  28 2
            32   23  28 1
            33   26  29 1
            34   29  30 2
            35   30  31 1
            36   31  32 2
            37   32  33 1
            38   33  34 2
            39   29  34 1

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