KEGG   COMPOUND: C19516
Entry
C19516                      Compound                               
Name
Pyrido[3,4-c]psoralen
Formula
C14H7NO3
Exact mass
237.0426
Mol weight
237.2103
Structure
Other DBs
CAS: 85878-62-2
PubChem: 124490188
ChEBI: 82528
KCF data

ATOM        18
            1   C8y C    26.3301  -17.0206
            2   C8y C    26.3301  -18.4214
            3   C8x C    27.5432  -19.1219
            4   C8y C    28.7564  -18.4214
            5   C8y C    28.7564  -17.0206
            6   C8x C    27.5432  -16.3202
            7   C8x C    24.9978  -16.5878
            8   C8x C    24.1745  -17.7210
            9   O2x O    24.9978  -18.8543
            10  O7x O    29.9695  -19.1219
            11  C8y C    31.1826  -18.4214
            12  C8y C    31.1826  -17.0206
            13  C8y C    29.9695  -16.3202
            14  C8x C    32.3958  -16.3202
            15  N5x N    32.3958  -14.9194
            16  C8x C    31.1826  -14.2190
            17  C8x C    29.9695  -14.9194
            18  O6a O    32.3809  -19.1134
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 2
            9     8   9 1
            10    2   9 1
            11    4  10 1
            12   10  11 1
            13   11  12 1
            14   12  13 1
            15    5  13 1
            16   12  14 2
            17   14  15 1
            18   15  16 2
            19   16  17 1
            20   13  17 2
            21   11  18 2

» Japanese version

  All links  
Chemical substance (2)   
   PubChem (1)   
   ChEBI (1)   
All databases (2)   

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