KEGG   COMPOUND: C10962
Entry
C10962                      Compound                               

Name
Tribenuron methyl;
Tribenuron-methyl
Formula
C15H17N5O6S
Exact mass
395.09
Mol weight
395.3904
Structure
Other DBs
CAS: 101200-48-0
PubChem: 13145
ChEBI: 9678
ChEMBL: CHEMBL1229780
PDB-CCD: 1TB[PDBj]
NIKKAJI: J407.004F
KCF data

ATOM        27
            1   C8y C    29.8631  -19.9141
            2   N5x N    29.8560  -21.3167
            3   C8y C    31.0681  -22.0277
            4   N5x N    32.2872  -21.3289
            5   C8y C    32.2944  -19.9262
            6   N5x N    31.0822  -19.2224
            7   S4a S    25.0208  -19.9122
            8   N1b N    26.2323  -19.2197
            9   O3c O    24.0131  -20.9709
            10  O3c O    26.0007  -21.0409
            11  C5a C    27.4385  -19.9141
            12  N1c N    28.6507  -19.2163
            13  O2a O    33.4999  -19.2234
            14  C1a C    34.7052  -19.9212
            15  O5a O    27.4314  -21.3167
            16  C1a C    31.0543  -23.4241
            17  C7a C    25.0138  -17.1018
            18  O7a O    26.2191  -17.8067
            19  C1a C    27.5714  -16.6818
            20  O6a O    25.0069  -15.6994
            21  C8y C    23.8162  -19.2121
            22  C8y C    23.8081  -17.8111
            23  C8x C    22.5900  -17.1142
            24  C8x C    21.4497  -17.8251
            25  C8x C    21.3878  -19.2261
            26  C8x C    22.6060  -19.9161
            27  C1a C    28.6438  -17.8838
BOND        28
            1     5  13 1
            2    13  14 1
            3     1   2 2
            4    11  15 2
            5    21   7 1
            6     3  16 1
            7     7   8 1
            8    22  17 1
            9     2   3 1
            10   17  18 1
            11    7   9 2
            12   18  19 1
            13    3   4 2
            14   17  20 2
            15    7  10 2
            16    4   5 1
            17    8  11 1
            18    5   6 2
            19   11  12 1
            20   12   1 1
            21   21  22 1
            22   22  23 2
            23   23  24 1
            24   24  25 2
            25   25  26 1
            26   26  21 2
            27    6   1 1
            28   12  27 1

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