KEGG   COMPOUND: C10903
Entry
C10903                      Compound                               
Name
Cinmethylin
Formula
C18H26O2
Exact mass
274.1933
Mol weight
274.3978
Structure
Brite
Pesticides [BR:br08007]
 Pesticides
  Herbicides
   Others
    C10903  Cinmethylin
Other DBs
CAS: 87818-31-3
PubChem: 13086
ChEBI: 3708
NIKKAJI: J410.544C
LinkDB
KCF data

ATOM        20
            1   C1x C    24.1671  -17.2872
            2   C1x C    24.1671  -18.6833
            3   C1z C    25.3791  -19.3813
            4   C1x C    26.5840  -18.6833
            5   C1y C    26.5840  -17.2872
            6   C1z C    25.3791  -16.5891
            7   O2a O    27.7936  -16.5900
            8   C1b C    29.0022  -17.2889
            9   C8y C    30.2118  -16.5918
            10  C8y C    31.4166  -17.2911
            11  C8x C    32.6263  -16.5939
            12  C8x C    32.6273  -15.1978
            13  C8x C    31.4187  -14.4989
            14  C8x C    30.2092  -15.1959
            15  C1a C    31.4146  -18.6872
            16  C1a C    25.3809  -15.1930
            17  C1c C    25.3809  -20.7774
            18  C1a C    24.1727  -21.4770
            19  C1a C    26.5909  -21.4739
            20  O2x O    25.0195  -18.0297
BOND        22
            1     4   5 1
            2     5   6 1
            3     6   1 1
            4     9  10 2
            5    10  11 1
            6    11  12 2
            7    12  13 1
            8    13  14 2
            9    14   9 1
            10    5   7 1 #Down
            11   10  15 1
            12    1   2 1
            13    6  16 1
            14    7   8 1
            15    3  17 1
            16    2   3 1
            17   17  18 1
            18    8   9 1
            19   17  19 1
            20    3   4 1
            21    6  20 1 #Down
            22    3  20 1 #Down

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