KEGG   COMPOUND: C18489Help
Entry
C18489                      Compound                               

Name
Tebuconazole
Formula
C16H22ClN3O
Exact mass
307.1451
Mol weight
307.8184
Structure
Mol fileKCF fileDB search
Brite
Pesticides [BR:br08007]
 Pesticides
  Fungicides
   Conazole fungicides
    C18489  Tebuconazole
BRITE hierarchy
Other DBs
CAS: 107534-96-3
PubChem: 124489163
ChEBI: 81781
ChEMBL: CHEMBL487186
KCF data Show

ATOM        21
            1   C8x C    21.9100  -19.3200
            2   C8y C    21.9100  -17.9200
            3   C8x C    20.7200  -17.2200
            4   C8x C    19.4600  -17.9200
            5   C8y C    19.4600  -19.3200
            6   C8x C    20.7200  -20.0200
            7   X   Cl   18.2700  -20.0200
            8   C1b C    23.1000  -17.2200
            9   C1b C    24.3600  -17.9200
            10  C1d C    25.5500  -17.2200
            11  C1b C    26.7400  -17.9200
            12  N4y N    28.0000  -17.2200
            13  N5x N    29.2600  -17.7800
            14  C8x C    30.2400  -16.7300
            15  N5x N    29.5400  -15.5400
            16  C8x C    28.1400  -15.8200
            17  O1a O    26.3900  -16.0300
            18  C1d C    24.5700  -16.2400
            19  C1a C    23.2400  -16.5900
            20  C1a C    24.9200  -14.9100
            21  C1a C    23.5900  -15.2600
BOND        22
            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     5   7 1
            8     2   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 2
            15   14  15 1
            16   15  16 2
            17   12  16 1
            18   10  17 1
            19   10  18 1
            20   18  19 1
            21   18  20 1
            22   18  21 1

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