KEGG   COMPOUND: C18744
Entry
C18744                      Compound                               
Name
Metaldehyde
Formula
C8H16O4
Exact mass
176.1049
Mol weight
176.2102
Structure
Brite
Pesticides [BR:br08007]
 Pesticides
  Others
   Molluscacide
    C18744  Metaldehyde
Other DBs
CAS: 108-62-3
PubChem: 124489418
ChEBI: 81931
KCF data

ATOM        12
            1   C1y C    27.6320  -16.3250
            2   O2x O    29.0331  -16.3250
            3   C1y C    30.0258  -17.3105
            4   O2x O    30.0258  -18.7116
            5   C1y C    29.0331  -19.7043
            6   O2x O    27.6320  -19.7043
            7   C1y C    26.6463  -18.7116
            8   O2x O    26.6463  -17.3105
            9   C1a C    27.0936  -15.0253
            10  C1a C    31.3291  -16.7681
            11  C1a C    25.3797  -19.2334
            12  C1a C    29.5596  -20.9740
BOND        12
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   1 1
            9     1   9 1
            10    3  10 1
            11    7  11 1
            12    5  12 1

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