KEGG   COMPOUND: C12478
Entry
C12478                      Compound                               
Name
Coumeroic acid
Formula
C17H14N2O7
Exact mass
358.0801
Mol weight
358.3023
Structure
Other DBs
PubChem: 582868
ChEBI: 31435
3DMET: B04531
NIKKAJI: J2.783.703D
LinkDB
KCF data

ATOM        26
            1   C8y C    26.8100  -21.2800
            2   C8y C    26.8100  -22.6800
            3   C8y C    28.0224  -23.3800
            4   C8y C    29.2349  -22.6800
            5   C8x C    29.2349  -21.2800
            6   C8x C    28.0224  -20.5800
            7   C8y C    25.5976  -20.5800
            8   C8y C    24.3851  -21.2800
            9   C8y C    24.3851  -22.6800
            10  O7x O    25.5976  -23.3800
            11  N1b N    23.1476  -20.5800
            12  C5a C    21.9351  -21.2800
            13  C8y C    20.7227  -20.5800
            14  O6a O    23.1540  -23.3910
            15  O5a O    21.9351  -22.6798
            16  O1a O    25.5976  -19.1802
            17  O1a O    30.4660  -23.3910
            18  C1a C    28.0224  -24.7798
            19  N4x N    20.3012  -19.2441
            20  C8x C    18.9009  -19.2323
            21  C8y C    18.4570  -20.5604
            22  C8y C    19.5829  -21.3930
            23  C1a C    19.5703  -22.8197
            24  C6a C    17.2676  -21.2800
            25  O6a O    16.0551  -20.5800
            26  O6a O    17.2819  -22.6800
BOND        28
            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    9  10 1
            11    2  10 1
            12    8  11 1
            13   11  12 1
            14   12  13 1
            15    9  14 2
            16   12  15 2
            17    7  16 1
            18    4  17 1
            19    3  18 1
            20   13  19 1
            21   19  20 1
            22   20  21 2
            23   21  22 1
            24   13  22 2
            25   22  23 1
            26   21  24 1
            27   24  25 1
            28   24  26 2

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