KEGG   COMPOUND: C09218
Entry
C09218                      Compound                               
Name
Leurosidine;
Vinrosidine
Formula
C46H58N4O9
Exact mass
810.4204
Mol weight
810.9741
Structure
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tryptophan and anthranilic acid
   Indole alkaloids
    C09218  Leurosidine
Other DBs
CAS: 15228-71-4
PubChem: 11409
ChEBI: 6429
KNApSAcK: C00001743
3DMET: B02775
NIKKAJI: J370.581A
KCF data

ATOM        59
            1   C1z C    32.1274  -20.5383
            2   C1y C    33.2170  -19.8573
            3   C1y C    32.1274  -21.7641
            4   C1x C    31.3102  -19.4487
            5   C1z C    34.3066  -20.5383
            6   N1y N    33.2170  -18.5634
            7   C1z C    33.2170  -22.4451
            8   N1y N    31.0378  -22.4451
            9   C8y C    29.9481  -21.7641
            10  C1x C    31.9231  -18.5634
            11  C1y C    34.3066  -21.7641
            12  C2x C    35.4643  -19.8573
            13  C1b C    35.3962  -21.1512
            14  C1x C    34.3066  -17.9504
            15  C7a C    34.1023  -23.5347
            16  O1a O    32.7403  -24.2838
            17  C1a C    31.0378  -23.7390
            18  O7a O    37.5755  -23.0580
            19  C2x C    35.4643  -18.5634
            20  C1a C    36.4858  -20.5383
            21  O7a O    34.1023  -24.8286
            22  O6a O    35.3962  -23.0580
            23  C1a C    35.2600  -25.5097
            24  C1a C    39.9590  -23.0580
            25  C7a C    38.7332  -22.3770
            26  O6a O    38.7332  -21.0150
            27  C8y C    29.9481  -20.5383
            28  C8x C    28.8585  -19.9254
            29  C8x C    28.8585  -22.4451
            30  C8y C    27.7689  -20.5383
            31  C8y C    27.7689  -21.8322
            32  C1z C    24.7725  -18.4272
            33  O2a O    26.6793  -22.4451
            34  C8y C    23.6828  -17.6780
            35  C1x C    25.9983  -17.6780
            36  C7a C    24.4320  -19.6530
            37  C1a C    25.5897  -21.8322
            38  C8y C    23.6828  -16.3160
            39  N4x N    22.5932  -18.2909
            40  C1y C    25.9983  -16.4522
            41  O7a O    23.0018  -20.1297
            42  O6a O    25.2492  -20.6745
            43  C8y C    21.4355  -16.3160
            44  C1x C    22.9337  -15.2264
            45  C8y C    21.4355  -17.6780
            46  C1x C    24.9087  -15.8393
            47  C1a C    22.1846  -21.4917
            48  C8x C    20.2778  -15.7031
            49  C1x C    23.6828  -14.2730
            50  C8x C    20.2778  -18.2909
            51  N1y N    24.9087  -14.6135
            52  C8x C    19.2563  -16.3160
            53  C8x C    19.2563  -17.6780
            54  C1x C    25.9983  -13.8644
            55  C1z C    27.0879  -14.4773
            56  C1x C    27.0879  -15.6350
            57  O1a O    28.3137  -13.7963
            58  C1b C    28.2674  -15.1583
            59  C1a C    28.2675  -16.5201
BOND        67
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4  10 1
            9     5  11 1
            10    5  12 1
            11    5  13 1 #Down
            12    6  14 1
            13    7  15 1 #Down
            14    7  16 1 #Up
            15    8  17 1
            16   11  18 1 #Up
            17   12  19 2
            18   13  20 1
            19   15  21 1
            20    6  10 1
            21    7  11 1
            22    8   9 1
            23   14  19 1
            24   15  22 2
            25   21  23 1
            26   24  25 1
            27   18  25 1
            28   25  26 2
            29   27  28 1
            30    9  29 1
            31   28  30 2
            32   29  31 2
            33   32  30 1
            34   31  33 1
            35   32  34 1
            36   32  35 1
            37   32  36 1 #Up
            38   33  37 1
            39   34  38 2
            40   34  39 1
            41   35  40 1
            42   36  41 1
            43   36  42 2
            44   38  43 1
            45   38  44 1
            46   39  45 1
            47   40  46 1 #Down
            48   40  56 1
            49   41  47 1
            50   43  48 1
            51   44  49 1
            52   45  50 1
            53   51  46 1 #Down
            54   48  52 2
            55   50  53 2
            56   51  54 1
            57   30  31 1
            58   43  45 2
            59   49  51 1
            60   55  54 1
            61   52  53 1
            62   55  56 1
            63   55  57 1 #Down
            64   27   1 1
            65   27   9 2
            66   55  58 1 #Up
            67   58  59 1

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