KEGG   COMPOUND: C08984
Entry
C08984                      Compound                               
Name
Spinasaponin A
Formula
C42H66O14
Exact mass
794.4453
Mol weight
794.965
Structure
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Triterpenoids (C30)
   Oleananes
    C08984  Spinasaponin A
Other DBs
CAS: 25406-56-8
PubChem: 11176
ChEBI: 9228
KNApSAcK: C00003554
3DMET: B02586
NIKKAJI: J193.317E
KCF data

ATOM        56
            1   C1y C    17.4297  -23.5655
            2   O2x O    16.2201  -24.2883
            3   C1y C    18.6572  -24.2503
            4   C1y C    16.2432  -25.6932
            5   C1y C    18.6834  -25.6601
            6   O1a O    19.8671  -23.5274
            7   C1y C    17.4739  -26.3832
            8   C1b C    15.0335  -26.4161
            9   O1a O    19.9083  -26.3404
            10  O1a O    17.4883  -27.7731
            11  C1y C    18.5805  -18.6190
            12  C1y C    18.5419  -20.0244
            13  O2x O    17.3443  -17.9421
            14  C1y C    17.4124  -20.7559
            15  O1a O    19.8401  -20.7035
            16  C1y C    16.1397  -18.6711
            17  O2a O    17.4411  -22.1665
            18  C1y C    16.1735  -20.0842
            19  C6a C    14.9009  -17.9994
            20  O1a O    14.9690  -20.8130
            21  O6a O    14.9310  -16.5825
            22  O6a O    13.7041  -18.7258
            23  C1z C    25.9023  -15.8283
            24  C1z C    27.1040  -15.1267
            25  C1y C    24.6876  -15.1149
            26  C1x C    25.9023  -17.2315
            27  C1a C    26.5075  -14.4833
            28  C2y C    27.1157  -13.7292
            29  C1x C    28.3069  -15.8459
            30  C1a C    27.0865  -16.5301
            31  C1z C    23.4609  -15.8166
            32  C1x C    24.6991  -13.7117
            33  C1x C    24.6816  -17.9274
            34  C1y C    28.3420  -13.0451
            35  C2x C    25.9258  -13.0216
            36  C1x C    29.5276  -15.1559
            37  C1y C    23.4551  -17.2257
            38  C1x C    22.2463  -15.1090
            39  C1a C    23.4424  -14.4075
            40  C1z C    29.5451  -13.7586
            41  C1x C    28.3726  -11.6478
            42  C1z C    22.2463  -17.9274
            43  C1x C    21.0198  -15.8166
            44  C1x C    30.7658  -13.0802
            45  C6a C    30.5360  -14.7553
            46  C1z C    29.5933  -10.9577
            47  C1y C    21.0198  -17.2257
            48  C1a C    22.9362  -19.2181
            49  C1a C    21.4536  -19.1271
            50  C1x C    30.7833  -11.6770
            51  O6a O    31.7627  -14.0350
            52  O6a O    30.5360  -16.1645
            53  C1a C    30.3028   -9.6596
            54  C1a C    28.8857   -9.7314
            55  O2a O    19.8051  -17.9274
            56  O1a O    13.8099  -25.7340
BOND        62
            1    12  15 1 #Down
            2    13  16 1
            3    14  17 1 #Up
            4    14  18 1
            5    16  19 1 #Up
            6    18  20 1 #Down
            7    19  21 1
            8    19  22 2
            9    16  18 1
            10    1   2 1
            11    1   3 1
            12    2   4 1
            13    3   5 1
            14    3   6 1 #Down
            15    4   7 1
            16    4   8 1 #Up
            17    5   9 1 #Up
            18    7  10 1 #Down
            19    5   7 1
            20   11  12 1
            21   11  13 1
            22   23  24 1
            23   23  25 1
            24   23  26 1
            25   23  27 1 #Up
            26   24  28 1
            27   24  29 1
            28   24  30 1 #Down
            29   25  31 1
            30   25  32 1
            31   26  33 1
            32   28  34 1
            33   28  35 2
            34   29  36 1
            35   31  37 1
            36   31  38 1
            37   31  39 1 #Up
            38   34  40 1
            39   34  41 1
            40   37  42 1
            41   38  43 1
            42   40  44 1
            43   40  45 1 #Up
            44   41  46 1
            45   42  47 1
            46   42  48 1
            47   42  49 1
            48   44  50 1
            49   45  51 1
            50   45  52 2
            51   46  53 1
            52   46  54 1
            53   47  55 1 #Up
            54   32  35 1
            55   33  37 1
            56   36  40 1
            57   43  47 1
            58   46  50 1
            59   11  55 1 #Up
            60    1  17 1 #Up
            61   12  14 1
            62    8  56 1

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