KEGG   COMPOUND: C19039
Entry
C19039                      Compound                               
Name
Malonoben
Formula
C18H22N2O
Exact mass
282.1732
Mol weight
282.3801
Structure
Brite
Pesticides [BR:br08007]
 Obsolete pesticides
  Insecticides
   Others
    C19039  Malonoben
Other DBs
CAS: 10537-47-0
PubChem: 124489711
ChEBI: 82168
KCF data

ATOM        21
            1   C8y C    17.2900  -19.9500
            2   C8y C    17.2900  -21.3500
            3   C8y C    18.5024  -22.0500
            4   C8x C    19.7149  -21.3500
            5   C8y C    19.7149  -19.9500
            6   C8x C    18.5024  -19.2500
            7   C1d C    16.0776  -19.2500
            8   C1a C    14.8821  -19.9404
            9   C1a C    16.0775  -17.8502
            10  C1a C    14.8651  -18.5500
            11  O1a O    16.0776  -22.0500
            12  C1d C    18.5024  -23.4498
            13  C1a C    17.2732  -24.1597
            14  C1a C    19.6980  -24.1402
            15  C1a C    18.5024  -24.8498
            16  C2b C    20.9460  -19.2390
            17  C2c C    22.1512  -19.9347
            18  C3b C    23.3335  -19.2519
            19  C3b C    22.1516  -21.3496
            20  N3a N    22.1516  -22.7496
            21  N3a N    24.5459  -18.5519
BOND        21
            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     7   9 1
            10    7  10 1
            11    2  11 1
            12    3  12 1
            13   12  13 1
            14   12  14 1
            15   12  15 1
            16    5  16 1
            17   16  17 2
            18   17  18 1
            19   17  19 1
            20   19  20 3
            21   18  21 3

» Japanese version

  All links  
Chemical substance (3)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
All databases (3)   

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