KEGG   COMPOUND: C17016Help
Entry
C17016                      Compound                               

Name
Nemertelline
Formula
C20H14N4
Exact mass
310.1218
Mol weight
310.352
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 59697-14-2
PubChem: 96023497
ChEBI: 80862
NIKKAJI: J20.372F
LinkDB All DBs
KCF data Show

ATOM        24
            1   C8x C    16.8000  -14.0000
            2   C8y C    16.8000  -15.4000
            3   C8x C    18.0124  -16.1000
            4   C8y C    19.2249  -15.4000
            5   N5x N    19.2249  -14.0000
            6   C8x C    18.0124  -13.3000
            7   C8y C    15.5876  -16.1000
            8   C8y C    20.4560  -16.1110
            9   C8x C    14.3921  -15.4096
            10  C8x C    13.1796  -16.1095
            11  C8x C    13.1794  -17.5095
            12  N5x N    14.3749  -18.1999
            13  C8y C    15.5874  -17.5000
            14  C8x C    20.4557  -17.4999
            15  N5x N    21.6680  -18.2002
            16  C8x C    22.8806  -17.5005
            17  C8x C    22.8809  -16.1116
            18  C8x C    21.6686  -15.4113
            19  C8y C    16.8166  -18.2100
            20  C8x C    16.8162  -19.5999
            21  N5x N    18.0284  -20.3003
            22  C8x C    19.2410  -19.6007
            23  C8x C    19.2415  -18.2108
            24  C8x C    18.0292  -17.5104
BOND        27
            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     2   7 1
            8     4   8 1
            9     7   9 2
            10    9  10 1
            11   10  11 2
            12   11  12 1
            13   12  13 2
            14    7  13 1
            15    8  14 2
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20    8  18 1
            21   13  19 1
            22   19  20 2
            23   20  21 1
            24   21  22 2
            25   22  23 1
            26   23  24 2
            27   19  24 1

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