KEGG   COMPOUND: C09995Help
Entry
C09995                      Compound                               

Name
Adouetine Z
Formula
C42H45N5O5
Exact mass
699.3421
Mol weight
699.8372
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 19542-40-6
PubChem: 12181
ChEBI: 2494
KNApSAcK: C00001990
3DMET: B03441
NIKKAJI: J2.459.958B
KCF data Show

ATOM        52
            1   C1y C    27.3763  -19.2724
            2   C5x C    28.5524  -18.5892
            3   N1x N    29.7286  -19.2653
            4   C1y C    30.9047  -18.5823
            5   C1b C    32.0738  -19.2582
            6   C8y C    33.2499  -18.5752
            7   C8x C    26.8706  -14.3108
            8   C8y C    26.8706  -15.6771
            9   C8x C    28.0529  -16.3532
            10  C8x C    29.2281  -15.6771
            11  C8y C    29.2281  -14.3108
            12  C8x C    28.0529  -13.6347
            13  C2x C    30.4012  -13.6356
            14  O2x O    25.6914  -16.3538
            15  C1y C    25.6921  -18.2976
            16  C2x C    32.0872  -14.6083
            17  N1x N    32.0845  -16.5563
            18  C5x C    30.9017  -17.2230
            19  O5x O    28.5493  -17.2301
            20  O5x O    29.7262  -16.5398
            21  N1b N    27.3773  -20.6315
            22  C8y C    24.5157  -18.9849
            23  C5a C    28.5574  -21.3068
            24  C1y C    28.5585  -22.6730
            25  O5a O    29.7364  -20.6297
            26  C8x C    23.3378  -18.2987
            27  C8x C    22.1544  -18.9859
            28  C8x C    22.1559  -20.3506
            29  C8x C    23.3410  -21.0281
            30  C8x C    24.5245  -20.3479
            31  C8x C    34.4213  -19.2589
            32  C8x C    35.5973  -18.5759
            33  C8x C    35.5957  -17.2194
            34  C8x C    34.4179  -16.5393
            35  C8x C    33.2418  -17.2223
            36  N1y N    27.4664  -23.4715
            37  C1x C    27.8913  -24.7624
            38  C1x C    29.2504  -24.7610
            39  C1x C    29.6662  -23.4698
            40  C5a C    26.2859  -22.7832
            41  C1c C    25.1098  -23.4663
            42  C1b C    23.9407  -22.7832
            43  C8y C    22.7646  -23.4663
            44  O5a O    26.2871  -21.6339
            45  N1c N    25.1098  -24.8256
            46  C1a C    23.9375  -25.5017
            47  C1a C    26.2893  -25.5017
            48  C8x C    21.5868  -22.7861
            49  C8x C    20.4106  -23.4691
            50  C8x C    20.4123  -24.8256
            51  C8x C    21.5902  -25.4988
            52  C8x C    22.7663  -24.8227
BOND        57
            1     3   4 1
            2     8  14 1
            3    14  15 1
            4    22  26 2
            5    26  27 1
            6    27  28 2
            7    28  29 1
            8    29  30 2
            9    30  22 1
            10    4   5 1 #Down
            11   13  16 2
            12   15   1 1
            13    2   3 1
            14   16  17 1
            15    5   6 1
            16    6  31 2
            17   31  32 1
            18   32  33 2
            19   33  34 1
            20   34  35 2
            21   35   6 1
            22    4  18 1
            23   18  17 1
            24    7   8 1
            25    2  19 2
            26   24  36 1
            27   36  37 1
            28   37  38 1
            29   38  39 1
            30   39  24 1
            31    8   9 2
            32   36  40 1
            33   18  20 2
            34   40  41 1
            35    9  10 1
            36   41  42 1
            37    1  21 1 #Up
            38   42  43 1
            39   10  11 2
            40   40  44 2
            41   15  22 1
            42   41  45 1 #Up
            43   11  12 1
            44   45  46 1
            45   21  23 1
            46   45  47 1
            47   12   7 2
            48   24  23 1 #Down
            49    1   2 1
            50   23  25 2
            51   11  13 1
            52   43  48 2
            53   48  49 1
            54   49  50 2
            55   50  51 1
            56   51  52 2
            57   52  43 1

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