KEGG   COMPOUND: C11229Help
Entry
C11229                      Compound                               

Name
Epoxiconazole
Formula
C17H13ClFN3O
Exact mass
329.0731
Mol weight
329.756
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 133855-98-8
PubChem: 13408
ChEBI: 4811 83759
NIKKAJI: J638.881G
KCF data Show

ATOM        23
            1   C1z C    28.1837  -21.7054
            2   O2x O    27.0475  -21.0142
            3   C1y C    26.9856  -22.4117
            4   C8y C    28.1722  -19.4110
            5   C1b C    29.3327  -22.3917
            6   C8x C    29.3268  -18.7409
            7   C8x C    27.0002  -18.7409
            8   C8y C    25.7975  -21.6969
            9   N4y N    30.5049  -21.7086
            10  C8x C    29.3268  -17.3994
            11  C8x C    27.0002  -17.3994
            12  C8y C    24.6020  -22.3858
            13  C8x C    25.8092  -20.3145
            14  C8x C    30.6334  -20.3729
            15  N5x N    31.7238  -22.2632
            16  C8y C    28.1722  -16.7163
            17  C8x C    23.4064  -21.6981
            18  X   Cl   24.6020  -23.7681
            19  C8x C    24.6077  -19.6212
            20  N5x N    31.9514  -20.0941
            21  C8x C    32.6402  -21.2661
            22  X   F    28.1722  -15.3633
            23  C8x C    23.4064  -20.3087
BOND        26
            1     1   2 1
            2     1   3 1
            3     3   2 1
            4     1   4 1 #Down
            5     1   5 1
            6     4   6 2
            7     4   7 1
            8     3   8 1 #Up
            9     5   9 1
            10    6  10 1
            11    7  11 2
            12    8  12 1
            13    8  13 2
            14    9  14 1
            15    9  15 1
            16   10  16 2
            17   12  17 2
            18   12  18 1
            19   13  19 1
            20   14  20 2
            21   15  21 2
            22   16  22 1
            23   17  23 1
            24   11  16 1
            25   19  23 2
            26   20  21 1

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