KEGG   COMPOUND: C16996
Entry
C16996                      Compound                               
Name
Methyl nigakinone
Formula
C16H12N2O3
Exact mass
280.0848
Mol weight
280.2781
Structure
Other DBs
CAS: 18110-87-7
PubChem: 96023482
ChEBI: 80849
KNApSAcK: C00044454
NIKKAJI: J426.172K
LinkDB
KCF data

ATOM        21
            1   C8x C    17.5000  -30.5900
            2   C8x C    17.5000  -31.9900
            3   C8x C    18.7124  -32.6900
            4   C8y C    19.9249  -31.9900
            5   C8y C    19.9249  -30.5900
            6   C8x C    18.7124  -29.8900
            7   N4y N    21.2564  -32.4226
            8   C8y C    22.0093  -31.2900
            9   C8y C    21.2564  -30.1574
            10  C8y C    23.4716  -31.2837
            11  N5x N    24.1110  -29.9347
            12  C8x C    23.3581  -28.9421
            13  C8x C    21.8958  -28.8784
            14  C8y C    21.9658  -33.7016
            15  C8y C    23.2881  -33.6379
            16  C8y C    24.1110  -32.5053
            17  O5x O    21.0227  -34.8067
            18  O2a O    25.4799  -32.4652
            19  O2a O    23.9718  -34.9037
            20  C1a C    25.3399  -34.9432
            21  C1a C    26.2218  -33.6673
BOND        24
            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     4   7 1
            8     7   8 1
            9     8   9 2
            10    5   9 1
            11    8  10 1
            12   10  11 2
            13   11  12 1
            14   12  13 2
            15    9  13 1
            16    7  14 1
            17   14  15 1
            18   15  16 2
            19   16  10 1
            20   14  17 2
            21   16  18 1
            22   15  19 1
            23   19  20 1
            24   18  21 1

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