KEGG   COMPOUND: C07584Help
Entry
C07584                      Compound                               

Name
Phenindione;
2-Phenyl-1,3-indandione
Formula
C15H10O2
Exact mass
222.0681
Mol weight
222.2387
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 B BLOOD AND BLOOD FORMING ORGANS
  B01 ANTITHROMBOTIC AGENTS
   B01A ANTITHROMBOTIC AGENTS
    B01AA Vitamin K antagonists
     B01AA02 Phenindione
      D08354  Phenindione (INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases
   vitamin-K-epoxide reductase
    Phenindione
     D08354  Phenindione (INN)
BRITE hierarchy
Other DBs
CAS: 
83-12-5
PubChem: 
ChEBI: 
NIKKAJI: 
KCF data Show

ATOM        17
            1   C1y C    28.2037  -19.5357
            2   C8y C    29.6020  -19.5474
            3   C5x C    27.3705  -20.6603
            4   C5x C    27.3938  -18.3939
            5   C8x C    30.2837  -20.7767
            6   C8x C    30.3128  -18.3473
            7   C8y C    26.0422  -20.2058
            8   O5x O    27.7843  -21.9944
            9   C8y C    26.0597  -18.8075
            10  O5x O    27.8426  -17.0656
            11  C8x C    31.6878  -20.7884
            12  C8x C    31.7111  -18.3647
            13  C8x C    24.8245  -20.8933
            14  C8x C    24.8537  -18.0967
            15  C8x C    32.3986  -19.5824
            16  C8x C    23.6186  -20.1825
            17  C8x C    23.6301  -18.7785
BOND        19
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     4  10 2
            10    5  11 1
            11    6  12 2
            12    7  13 1
            13    9  14 1
            14   11  15 2
            15   13  16 2
            16   14  17 2
            17    7   9 2
            18   12  15 1
            19   16  17 1

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