KEGG   COMPOUND: C18599Help
Entry
C18599                      Compound                               

Name
Coumafuryl;
Fumarin
Formula
C17H14O5
Exact mass
298.0841
Mol weight
298.2901
Structure
Mol fileKCF fileDB searchJmolKegDraw
Comment
veterinary medicine
Brite
Pesticides [BR:br08007]
 Obsolete pesticides
  Rodenticides
   Coumarin rodenticides
    C18599  Coumafuryl
BRITE hierarchy
Other DBs
CAS: 
117-52-2
PubChem: 
LinkDB All DBs
KCF data Show

ATOM        22
            1   C8y C    21.3500  -19.6700
            2   C1c C    22.6100  -20.3700
            3   C8y C    20.2300  -20.3700
            4   C8y C    21.3500  -18.2700
            5   C8y C    22.6100  -21.7000
            6   C1b C    23.8000  -19.6700
            7   C8y C    19.0400  -19.6700
            8   O1a O    20.2300  -21.8400
            9   O7x O    20.2300  -17.5000
            10  O6a O    22.5400  -17.5700
            11  C5a C    24.9900  -20.3000
            12  C8y C    19.0400  -18.2700
            13  C8x C    17.7800  -20.3700
            14  O5a O    24.9900  -21.8400
            15  C8x C    17.7800  -17.5700
            16  C8x C    16.5900  -19.6700
            17  C8x C    16.5900  -18.2700
            18  O2x O    21.4774  -22.5229
            19  C8x C    21.9100  -23.8544
            20  C8x C    23.3100  -23.8544
            21  C8x C    23.7426  -22.5229
            22  C1a C    26.1894  -19.5779
BOND        24
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     4  10 2
            10    6  11 1
            11    7  12 2
            12    7  13 1
            13   11  14 2
            14   12  15 1
            15   13  16 2
            16   15  17 2
            17    9  12 1
            18   16  17 1
            19    5  18 1
            20   18  19 1
            21   19  20 2
            22   20  21 1
            23    5  21 2
            24   11  22 1

» Japanese version

DBGET integrated database retrieval system