KEGG   COMPOUND: C10824Help
Entry
C10824                      Compound                               

Name
Solasonine
Formula
C45H73NO16
Exact mass
883.4929
Mol weight
884.0582
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
    C10824  Solasonine
BRITE hierarchy
Other DBs
CAS: 19121-58-5
PubChem: 13007
ChEBI: 9191
ChEMBL: CHEMBL438956
KNApSAcK: C00002265
3DMET: B04158
NIKKAJI: J13.552F
LinkDB All DBs
KCF data Show

ATOM        62
            1   C1y C    30.7660  -14.8588
            2   C1y C    31.9475  -15.5498
            3   C1y C    30.7718  -13.4954
            4   C1x C    31.9125  -16.8434
            5   O2x O    33.1061  -14.8646
            6   C1z C    33.1119  -13.4954
            7   C1a C    29.7929  -12.5363
            8   C1x C    34.2876  -14.1864
            9   N1x N    33.1119  -12.1447
            10  C1x C    35.4575  -13.4954
            11  C1x C    34.2935  -11.4721
            12  C1y C    35.4692  -12.1504
            13  C1a C    36.6521  -11.4721
            14  C1y C    29.5657  -16.8776
            15  C1z C    29.5657  -15.5260
            16  O2a O    22.4517  -19.7177
            17  C1x C    28.3991  -14.8169
            18  C1y C    28.3758  -17.5255
            19  C1x C    27.2224  -15.4844
            20  C1y C    27.2107  -16.8417
            21  C1x C    28.3758  -18.8825
            22  C1z C    26.0401  -17.5138
            23  C2x C    27.1991  -19.5618
            24  C2y C    26.0342  -18.8710
            25  C1x C    24.8624  -16.8358
            26  C1a C    26.0284  -16.1568
            27  C1x C    24.8624  -19.5559
            28  C1x C    23.6846  -17.5138
            29  C1y C    23.6846  -18.8710
            30  C1a C    29.5657  -14.1464
            31  C1y C    23.4976  -23.2061
            32  C1y C    24.6743  -22.5339
            33  O2x O    23.4917  -24.5761
            34  C1y C    25.8605  -23.2166
            35  O1a O    24.6875  -21.1651
            36  C1y C    24.6645  -25.2663
            37  C1y C    25.8494  -24.5895
            38  O1a O    27.0399  -22.5496
            39  C1a C    24.6542  -26.6521
            40  O1a O    27.0244  -25.2717
            41  C1y C    21.1253  -20.4748
            42  C1y C    21.1232  -21.8297
            43  O2x O    19.9411  -19.7927
            44  C1y C    19.9455  -22.5222
            45  O2a O    22.3077  -22.5189
            46  C1y C    18.7627  -20.4672
            47  C1y C    18.7543  -21.8331
            48  O2a O    19.9222  -23.9196
            49  C1b C    17.5750  -19.7910
            50  O1a O    17.5755  -18.4270
            51  O1a O    17.5519  -22.5258
            52  O2x O    18.7249  -26.2261
            53  C1y C    18.7249  -27.6128
            54  C1y C    19.9349  -28.3097
            55  C1y C    21.1307  -27.6128
            56  C1y C    21.1307  -26.2261
            57  C1y C    19.9349  -25.5292
            58  C1b C    17.5252  -28.3104
            59  O1a O    16.3248  -27.6140
            60  O1a O    19.9366  -29.6964
            61  O1a O    22.3312  -28.3088
            62  O1a O    22.3312  -25.5300
BOND        70
            1    27  29 1
            2    19  20 1
            3    23  24 2
            4    28  29 1
            5    15  30 1 #Up
            6    29  16 1 #Up
            7    15   1 1
            8     1   2 1
            9     1   3 1
            10   14   4 1
            11    2   5 1
            12    3   6 1
            13    3   7 1 #Down
            14    6   8 1 #Up
            15    6   9 1 #Down
            16    8  10 1
            17    9  11 1
            18   10  12 1
            19   12  13 1 #Down
            20    2   4 1
            21    5   6 1
            22   11  12 1
            23   15  14 1
            24   32  35 1 #Down
            25   33  36 1
            26   34  37 1
            27   34  38 1 #Down
            28   36  39 1 #Down
            29   37  40 1 #Up
            30   36  37 1
            31   41  42 1
            32   41  43 1
            33   42  44 1
            34   42  45 1 #Down
            35   43  46 1
            36   44  47 1
            37   44  48 1 #Up
            38   46  49 1 #Up
            39   49  50 1
            40   46  47 1
            41   31  32 1
            42   31  33 1
            43   32  34 1
            44   41  16 1 #Up
            45   31  45 1 #Up
            46   15  17 1
            47   47  51 1 #Up
            48   14  18 1
            49   17  19 1
            50   18  20 1
            51   18  21 1
            52   20  22 1
            53   21  23 1
            54   52  53 1
            55   53  54 1
            56   54  55 1
            57   55  56 1
            58   56  57 1
            59   57  52 1
            60   57  48 1 #Up
            61   22  24 1
            62   53  58 1 #Up
            63   22  25 1
            64   58  59 1
            65   22  26 1 #Up
            66   54  60 1 #Down
            67   24  27 1
            68   55  61 1 #Up
            69   25  28 1
            70   56  62 1 #Down

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