KEGG   COMPOUND: C10820Help
Entry
C10820                      Compound                               

Name
Solanine;
alpha-Solanin
Formula
C45H73NO15
Exact mass
867.498
Mol weight
868.0588
Structure
Mol fileKCF fileDB search
Pathway
map01066  Biosynthesis of alkaloids derived from terpenoid and polyketide
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived by amination reactions
   Steroid alkaloids
    C10820  Solanine
Natural toxins [BR:br08009]
 Phytotoxins
  Alkaloids
   Steroid alkaloids
    C10820  Solanine
BRITE hierarchy
Other DBs
CAS: 20562-02-1
PubChem: 13003
ChEBI: 9188
KNApSAcK: C00002262
3DMET: B04154
NIKKAJI: J16.241H
KCF data Show

ATOM        61
            1   O2x O    18.6352  -25.5773
            2   C1y C    18.6352  -27.0033
            3   C1y C    19.8768  -27.7163
            4   C1y C    21.1043  -27.0033
            5   C1y C    21.1043  -25.5773
            6   C1y C    19.8768  -24.8643
            7   O2a O    19.9139  -23.4806
            8   C1b C    17.4038  -27.7170
            9   O1a O    16.1648  -27.0045
            10  O1a O    19.8786  -29.1424
            11  O1a O    22.3436  -27.7155
            12  O1a O    22.3436  -24.8652
            13  C1y C    23.7109  -18.3342
            14  C1x C    23.7109  -16.9506
            15  C1x C    24.9173  -19.0261
            16  C1x C    24.9173  -16.2587
            17  C1z C    26.1095  -16.9506
            18  C2y C    26.1036  -18.3342
            19  C2x C    27.3040  -19.0312
            20  C1x C    28.4964  -18.3445
            21  C1y C    27.3160  -16.2638
            22  C1y C    28.4964  -16.9639
            23  C1x C    28.5263  -14.2108
            24  C1x C    27.3274  -14.8839
            25  C1z C    29.6509  -14.9107
            26  C1y C    29.7118  -16.2960
            27  C1x C    31.0257  -16.7300
            28  C1y C    31.0402  -14.4870
            29  C1y C    31.8435  -15.6186
            30  C1y C    31.8564  -13.3648
            31  C1y C    33.1727  -13.7986
            32  N1y N    33.1635  -15.1926
            33  C1x C    34.3653  -15.8942
            34  C1y C    35.5692  -15.2015
            35  C1x C    35.5784  -13.8145
            36  C1x C    34.3836  -13.1129
            37  C1a C    26.0972  -15.5669
            38  C1a C    29.7114  -13.5267
            39  C1a C    31.4906  -12.0230
            40  C1a C    36.7641  -15.8987
            41  O2a O    22.4172  -19.1344
            42  C1y C    23.5698  -22.7958
            43  C1y C    24.7851  -22.1006
            44  O2x O    23.5639  -24.2051
            45  C1y C    26.0028  -22.8063
            46  O1a O    24.7983  -20.6925
            47  C1y C    24.7753  -24.9112
            48  C1y C    25.9916  -24.2184
            49  O1a O    27.2210  -22.1163
            50  C1a C    24.7649  -26.3365
            51  O1a O    27.2054  -24.9167
            52  C1y C    21.1271  -19.9861
            53  C1y C    21.1251  -21.3803
            54  O2x O    19.9113  -19.2810
            55  C1y C    19.9157  -22.0889
            56  O2a O    22.3482  -22.0855
            57  C1y C    18.7013  -19.9785
            58  C1y C    18.6928  -21.3837
            59  C1b C    17.4819  -19.2793
            60  O1a O    17.4824  -17.8761
            61  O1a O    17.4587  -22.0925
BOND        69
            1    20  22 1
            2    21  17 1
            3    21  22 1
            4    22  26 1
            5    25  23 1
            6    23  24 1
            7    24  21 1
            8    25  26 1
            9    26  27 1
            10   27  29 1
            11   28  25 1
            12   28  29 1
            13   29  32 1
            14   31  30 1
            15   30  28 1
            16   31  32 1
            17   32  33 1
            18   33  34 1
            19   34  35 1
            20   35  36 1
            21   36  31 1
            22   17  37 1 #Up
            23   25  38 1 #Up
            24   30  39 1 #Down
            25   34  40 1 #Down
            26    3  10 1 #Down
            27   13  41 1 #Up
            28    4   5 1
            29    4  11 1 #Up
            30    5   6 1
            31    5  12 1 #Down
            32    6   1 1
            33    6   7 1 #Up
            34    1   2 1
            35    2   8 1 #Up
            36    2   3 1
            37    8   9 1
            38    3   4 1
            39   14  13 1
            40   13  15 1
            41   15  18 1
            42   17  16 1
            43   16  14 1
            44   17  18 1
            45   18  19 2
            46   43  46 1 #Down
            47   44  47 1
            48   45  48 1
            49   45  49 1 #Down
            50   47  50 1 #Down
            51   48  51 1 #Up
            52   47  48 1
            53   52  53 1
            54   52  54 1
            55   53  55 1
            56   53  56 1 #Down
            57   54  57 1
            58   55  58 1
            59   55   7 1 #Up
            60   57  59 1 #Up
            61   59  60 1
            62   57  58 1
            63   42  43 1
            64   42  44 1
            65   43  45 1
            66   52  41 1 #Up
            67   42  56 1 #Up
            68   19  20 1
            69   58  61 1 #Up

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