KEGG   COMPOUND: C09252Help
Entry
C09252                      Compound                               

Name
Voacamine;
Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate
Formula
C43H52N4O5
Exact mass
704.3938
Mol weight
704.8968
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 3371-85-5
PubChem: 11443
ChEBI: 10014
KNApSAcK: C00001785
3DMET: B05343
NIKKAJI: J10.581C
LinkDB All DBs
KCF data Show

ATOM        52
            1   C2b C    17.6680  -12.8308
            2   C1a C    18.5480  -11.7591
            3   C1x C    20.9697  -16.6959
            4   C1y C    19.7239  -16.0508
            5   C1y C    19.2992  -14.7168
            6   C1y C    19.9327  -13.3435
            7   C1x C    21.2623  -12.8473
            8   C1y C    22.5080  -13.7022
            9   C8y C    22.9399  -15.0400
            10  C8y C    22.2992  -16.2766
            11  N4x N    24.3208  -15.2719
            12  C8y C    24.5246  -16.6572
            13  C8y C    23.2824  -17.2668
            14  C8x C    23.1890  -18.6555
            15  C8x C    24.3519  -19.4347
            16  C8x C    25.6012  -18.8182
            17  C8x C    25.6876  -17.4295
            18  N1y N    18.4039  -16.5415
            19  C1x C    17.5839  -15.4052
            20  C2y C    18.1615  -14.1325
            21  C7a C    20.4167  -14.7102
            22  O7a O    20.6197  -15.7626
            23  C1a C    21.8318  -15.3379
            24  O6a O    20.9675  -13.7079
            25  C1a C    18.0327  -17.8886
            26  C1z C    28.7447  -12.5947
            27  C1y C    29.4770  -11.6143
            28  C1x C    29.7260  -13.3778
            29  C1y C    30.6148  -12.3423
            30  C1y C    31.4232  -11.4870
            31  C1x C    32.4734  -12.2887
            32  C1b C    31.8296  -10.1382
            33  C8y C    25.6702  -11.8794
            34  N4x N    26.8206  -13.4996
            35  C8y C    25.6716  -13.0972
            36  C8x C    24.6098  -11.2711
            37  C8x C    24.6098  -13.7197
            38  C8y C    23.5655  -11.8794
            39  C8y C    23.5655  -13.0972
            40  C8y C    27.5382  -12.5135
            41  C8y C    26.8417  -11.5233
            42  C1x C    27.1800  -10.3484
            43  C1x C    28.3043   -9.8882
            44  N1y N    29.3642  -10.4743
            45  C1x C    30.2464   -8.8324
            46  C7a C    28.6029  -13.8856
            47  O7a O    29.6242  -14.8299
            48  C1a C    29.2720  -16.4137
            49  O6a O    27.7192  -14.7210
            50  C1a C    33.2015   -9.8163
            51  O2a O    22.5150  -11.2779
            52  C1a C    21.1849  -11.8770
BOND        60
            1     6   5 1 #Up
            2    18  25 1
            3     6   7 1
            4     7   8 1
            5     8   9 1
            6    10   3 1
            7    12  13 2
            8    13  14 1
            9    14  15 2
            10   15  16 1
            11   16  17 2
            12   17  12 1
            13    4  18 1
            14    1   2 1
            15   18  19 1
            16    3   4 1
            17   19  20 1
            18   20   6 1
            19    1  20 2
            20    9  10 2
            21   10  13 1
            22    5  21 1
            23   12  11 1
            24   21  22 1
            25   11   9 1
            26   28  29 1
            27   30  31 1
            28   26  27 1
            29   26  28 1
            30   27  30 1
            31   41  33 1
            32   40  34 1
            33   33  35 2
            34   33  36 1
            35   35  37 1
            36   36  38 2
            37   37  39 2
            38   34  35 1
            39   38  39 1
            40   40  41 2
            41   41  42 1
            42   40  26 1
            43   42  43 1
            44   43  44 1
            45   27  44 1
            46   44  45 1 #Up
            47   26  46 1 #Down
            48   46  47 1
            49   47  48 1
            50   46  49 2
            51   29  45 1 #Up
            52   29  31 1
            53   32  50 1
            54   30  32 1 #Up
            55   22  23 1
            56    4   5 1 #Up
            57   38  51 1
            58   21  24 2
            59   51  52 1
            60   39   8 1

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