KEGG   COMPOUND: C09200Help
Entry
C09200                      Compound                               

Name
Geissospermine
Formula
C40H48N4O3
Exact mass
632.3726
Mol weight
632.8341
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 427-01-0
PubChem: 11391
ChEBI: 27776
KNApSAcK: C00001732
3DMET: B02761
NIKKAJI: J11.382D
KCF data Show

ATOM        47
            1   C8y C    28.0210  -23.2638
            2   C8y C    27.9932  -24.6263
            3   C8x C    29.0525  -25.3922
            4   C8x C    30.3493  -24.7955
            5   C8x C    30.3769  -23.3630
            6   C8x C    29.2548  -22.6671
            7   C1y C    22.5073  -17.6738
            8   N1y N    21.6908  -18.7899
            9   C1y C    24.6115  -16.5262
            10  C1x C    23.9478  -15.2432
            11  C1z C    21.6952  -16.5526
            12  C1y C    22.5619  -15.2832
            13  N1y N    21.6594  -14.2320
            14  C1x C    20.3865  -14.7631
            15  C1x C    20.4933  -16.1395
            16  C1y C    25.3077  -15.3330
            17  C1x C    22.8614  -13.5607
            18  C1y C    22.4807  -20.0392
            19  O2x O    23.8487  -20.0546
            20  C1x C    24.5460  -18.8795
            21  C1y C    23.8753  -17.6192
            22  C1c C    21.7654  -21.2258
            23  C1y C    22.4358  -22.4269
            24  C2y C    21.7243  -23.6147
            25  C1x C    22.3993  -24.8155
            26  C1x C    23.8131  -22.3779
            27  C1y C    24.4833  -23.6562
            28  N1y N    23.7741  -24.8260
            29  C1x C    24.4340  -26.0241
            30  C1x C    25.8031  -26.0528
            31  C7a C    20.3781  -21.2064
            32  O7a O    19.6705  -22.2496
            33  C1a C    18.2893  -22.2340
            34  C8y C    20.3745  -18.3657
            35  C8y C    20.3769  -16.9820
            36  C8x C    19.1742  -16.2879
            37  C8x C    17.9835  -16.9779
            38  C8x C    17.9812  -18.3618
            39  C8x C    19.1696  -19.0558
            40  C8y C    25.8533  -23.6883
            41  C8y C    26.5137  -24.8798
            42  N4x N    26.7865  -22.6878
            43  O6a O    19.6982  -20.0024
            44  C1b C    26.5007  -16.0180
            45  C1a C    26.5637  -17.4024
            46  C2b C    20.4952  -24.2756
            47  C1a C    19.3057  -23.5399
BOND        56
            1    23  24 1
            2    24  25 1
            3    25  28 1
            4    27  26 1
            5    26  23 1
            6     1   2 2
            7     2   3 1
            8    11  12 1
            9    27  28 1
            10   28  29 1
            11   29  30 1
            12   30  41 1
            13   40  27 1
            14   12  13 1
            15   22  31 1 #Up
            16   13  14 1
            17   31  32 1
            18   14  15 1
            19   32  33 1
            20    7  11 1
            21    9  16 1
            22   11  35 1
            23   13  17 1
            24   17  16 1
            25   34   8 1
            26    8   7 1
            27   34  35 2
            28   35  36 1
            29   36  37 2
            30   37  38 1
            31   38  39 2
            32   39  34 1
            33    3   4 2
            34    4   5 1
            35    8  18 1
            36   40  41 2
            37   41   2 1
            38    1  42 1
            39   42  40 1
            40   18  19 1
            41   31  43 2
            42   19  20 1
            43   16  44 1 #Up
            44   20  21 1
            45   44  45 1
            46   21   7 1
            47   21   9 1
            48   18  22 1
            49    9  10 1
            50   22  23 1
            51   10  12 1
            52    5   6 2
            53   24  46 2
            54    6   1 1
            55   46  47 1
            56   11  15 1 #Up

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