KEGG   COMPOUND: C17725Help
Entry
C17725                      Compound                               

Name
Heptabarbital
Formula
C13H18N2O3
Exact mass
250.1317
Mol weight
250.2936
Structure
Mol fileKCF fileDB searchJmolKegDraw
Other DBs
CAS: 
509-86-4
PubChem: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        18
            1   C1z C    27.5800  -21.5600
            2   C2y C    28.7700  -20.8600
            3   C5x C    26.3200  -20.8600
            4   C5x C    27.5800  -22.9600
            5   C1b C    28.7700  -22.2600
            6   N1x N    25.1300  -21.5600
            7   O5x O    26.3200  -19.4600
            8   N1x N    26.3200  -23.6600
            9   O5x O    28.7700  -23.6600
            10  C1a C    30.1700  -22.2600
            11  C5x C    25.1300  -22.9600
            12  O5x O    23.9400  -23.6600
            13  C1x C    28.7700  -19.4600
            14  C1x C    29.8900  -18.5500
            15  C1x C    31.2200  -18.9000
            16  C1x C    31.8500  -20.1600
            17  C1x C    31.2200  -21.4200
            18  C2x C    29.8900  -21.7000
BOND        19
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     3   6 1
            6     3   7 2
            7     4   8 1
            8     4   9 2
            9     5  10 1
            10    6  11 1
            11   11  12 2
            12    8  11 1
            13   15  16 1
            14   13   2 1
            15   16  17 1
            16   14  15 1
            17    2  18 2
            18   13  14 1
            19   17  18 1

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