KEGG   COMPOUND: C10004Help
Entry
C10004                      Compound                               

Name
Hymenocardine
Formula
C37H50N6O6
Exact mass
674.3792
Mol weight
674.8295
Structure
Mol fileKCF fileDB searchJmolKegDraw
Other DBs
CAS: 
19771-56-3
PubChem: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        49
            1   C1y C    26.1543  -20.0149
            2   C5x C    27.3273  -19.3364
            3   N1x N    28.5002  -20.0078
            4   C1y C    29.6732  -19.3294
            5   C8x C    25.6469  -15.0650
            6   C8y C    25.6469  -16.4217
            7   C8x C    26.8260  -17.1000
            8   C8x C    27.9982  -16.4217
            9   C8y C    27.9982  -15.0650
            10  C8x C    26.8260  -14.3866
            11  C5x C    29.1750  -14.3875
            12  O2x O    24.4708  -17.1007
            13  C1z C    24.4716  -19.0438
            14  C1x C    30.8597  -15.3636
            15  N1x N    30.8569  -17.3039
            16  C5x C    29.6702  -17.9656
            17  O5x O    27.3243  -17.9727
            18  O5x O    28.4980  -17.2801
            19  N1b N    26.1553  -21.3714
            20  C5a C    27.3322  -22.0489
            21  C1c C    27.3334  -23.4056
            22  O5a O    28.5080  -21.3696
            23  N1b N    26.1575  -24.0848
            24  C1c C    28.5102  -24.0830
            25  C1a C    28.5114  -25.4397
            26  C5a C    24.9807  -23.4075
            27  C1a C    29.6859  -23.4038
            28  C8y C    32.0188  -19.3192
            29  C1b C    30.7769  -19.8726
            30  N4x N    33.6416  -17.8313
            31  C8x C    32.2917  -17.9759
            32  C8y C    34.1951  -19.0732
            33  C8y C    33.1908  -19.9783
            34  C8x C    33.4723  -21.3029
            35  C8x C    34.7581  -21.7225
            36  C8x C    35.7694  -20.8174
            37  C8x C    35.4880  -19.4927
            38  C1a C    23.1100  -19.0503
            39  C1a C    23.7884  -20.2162
            40  O5x O    29.1765  -13.0308
            41  C1c C    23.8026  -24.0814
            42  C1c C    22.6296  -23.4031
            43  C1b C    21.4565  -24.0814
            44  O5a O    24.9826  -22.3308
            45  N1c N    23.7994  -25.4381
            46  C1a C    22.6214  -26.1207
            47  C1a C    24.9740  -26.2663
            48  C1a C    22.6296  -22.0464
            49  C1a C    20.2794  -23.4044
BOND        52
            1     1   2 1
            2    21  24 1
            3     6  12 1
            4    24  25 1
            5     3   4 1
            6    23  26 1
            7    12  13 1
            8    24  27 1
            9     4  29 1 #Down
            10   11  14 1
            11   29  28 1
            12   13   1 1
            13   28  33 1
            14   32  30 1
            15   30  31 1
            16   31  28 2
            17   14  15 1
            18    5   6 1
            19    4  16 1
            20   16  15 1
            21    6   7 2
            22    2  17 2
            23   32  33 2
            24   33  34 1
            25   34  35 2
            26   35  36 1
            27   36  37 2
            28   37  32 1
            29    7   8 1
            30   13  38 1
            31   16  18 2
            32   13  39 1
            33    8   9 2
            34   11  40 2
            35    1  19 1 #Up
            36   26  41 1
            37    9  10 1
            38   41  42 1
            39   19  20 1
            40   42  43 1
            41   10   5 2
            42   26  44 2
            43   20  21 1
            44   41  45 1 #Up
            45    2   3 1
            46   45  46 1
            47   20  22 2
            48   45  47 1
            49    9  11 1
            50   42  48 1 #Down
            51   21  23 1 #Down
            52   43  49 1

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