KEGG   COMPOUND: C18696Help
Entry
C18696                      Compound                               

Name
Flocoumafen
Formula
C33H25F3O4
Exact mass
542.1705
Mol weight
542.5444
Structure
Mol fileKCF fileDB search
Remark
Same as: D07134
Brite
Pesticides [BR:br08007]
 Pesticides
  Rodenticides
   Coumarin rodenticides
    C18696  Flocoumafen
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Vitamin-K-epoxide reductase
    VKORC1
     D07134  Flocoumafen (JAN)
BRITE hierarchy
Other DBs
CAS: 90035-08-8
PubChem: 124489370
ChEBI: 81894
LinkDB All DBs
KCF data Show

ATOM        40
            1   C8y C    20.5100  -16.8700
            2   C8y C    20.5100  -18.2700
            3   C8x C    19.3200  -18.9700
            4   C8x C    18.0600  -18.2700
            5   C8x C    18.0600  -16.8700
            6   C8x C    19.3200  -16.1700
            7   O7x O    21.7000  -16.1700
            8   C8y C    22.9600  -16.8700
            9   C8y C    22.9600  -18.2700
            10  C8y C    21.7000  -18.9700
            11  O6a O    24.1500  -16.1700
            12  O1a O    21.7000  -20.3700
            13  C1y C    24.1500  -18.9700
            14  C1x C    25.3400  -18.2700
            15  C1y C    26.6000  -18.9700
            16  C1x C    26.6000  -20.3700
            17  C8y C    25.4100  -21.0700
            18  C8y C    24.1500  -20.3700
            19  C8x C    25.4100  -22.4700
            20  C8x C    24.1500  -23.1700
            21  C8x C    22.9600  -22.4700
            22  C8x C    22.9600  -21.0700
            23  C8y C    27.7900  -18.2700
            24  C8x C    27.7900  -16.8700
            25  C8x C    29.0500  -16.1700
            26  C8y C    30.2400  -16.8700
            27  C8x C    30.2400  -18.2700
            28  C8x C    29.0500  -18.9700
            29  O2a O    31.4300  -16.1700
            30  C1b C    32.6200  -16.8700
            31  C8y C    33.8100  -16.1700
            32  C8x C    33.8100  -14.7700
            33  C8x C    35.0700  -14.0700
            34  C8y C    36.2600  -14.7700
            35  C8x C    36.2600  -16.1700
            36  C8x C    35.0700  -16.8700
            37  C1d C    37.4500  -14.0700
            38  X   F    38.1500  -15.2600
            39  X   F    38.6400  -13.3700
            40  X   F    36.7500  -12.8800
BOND        45
            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 1
            9     8   9 1
            10    9  10 2
            11    2  10 1
            12    8  11 2
            13   10  12 1
            14    9  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   17  19 2
            22   19  20 1
            23   20  21 2
            24   21  22 1
            25   18  22 2
            26   15  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 1
            35   30  31 1
            36   31  32 2
            37   32  33 1
            38   33  34 2
            39   34  35 1
            40   35  36 2
            41   31  36 1
            42   34  37 1
            43   37  38 1
            44   37  39 1
            45   37  40 1

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