KEGG   COMPOUND: C02517Help
Entry
C02517                      Compound                               

Name
3-Oxohexobarbital
Formula
C12H15N2O4
Exact mass
251.1032
Mol weight
251.2585
Structure
Mol fileKCF fileDB search
Other DBs
PubChem: 5527
ChEBI: 1643
NIKKAJI: J2.737.081K
LinkDB All DBs
KCF data Show

ATOM        18
            1   C1z C    28.8517  -16.5781
            2   C2y C    30.0619  -15.8765
            3   C5x C    28.8517  -17.9930
            4   C5x C    27.6298  -15.8765
            5   C1a C    30.0502  -17.2797
            6   C1x C    31.2721  -16.5723
            7   C2x C    30.0560  -14.4851
            8   N1y N    27.6298  -18.7062
            9   O5x O    30.0619  -18.6888
            10  N2y N    26.4196  -16.5781 #+
            11  O5x O    27.6823  -14.4851
            12  C1x C    32.4589  -15.8591
            13  C1x C    31.2604  -13.7837
            14  C5x C    26.4196  -17.9930
            15  C1a C    27.6823  -20.1034
            16  O3a O    25.1919  -15.8648
            17  C1x C    32.4764  -14.4734
            18  O5x O    25.2036  -18.6888
BOND        19
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     2   7 2
            7     3   8 1
            8     3   9 2
            9     4  10 1
            10    4  11 2
            11    6  12 1
            12    7  13 1
            13    8  14 1
            14    8  15 1
            15   10  16 2
            16   12  17 1
            17   14  18 2
            18   10  14 1
            19   13  17 1

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