KEGG   COMPOUND: C08982
Entry
C08982                      Compound                               
Name
Soyasaponin A1
Formula
C59H96O29
Exact mass
1268.6037
Mol weight
1269.3761
Structure
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Triterpenoids (C30)
   Dammarenes
    C08982  Soyasaponin A1
Other DBs
CAS: 78693-94-4
PubChem: 11174
ChEBI: 9210
KNApSAcK: C00003552
3DMET: B02584
NIKKAJI: J401.507J
LinkDB
KCF data

ATOM        88
            1   C1y C    39.1997  -11.7425
            2   O2x O    40.4128  -12.4483
            3   C1y C    39.1924  -10.3412
            4   C1y C    41.6328  -11.7290
            5   C1y C    40.3966   -9.6315
            6   O1a O    37.9711   -9.6461
            7   C1y C    41.6844  -10.3341
            8   C1b C    42.8473  -12.4257
            9   O1a O    40.3863   -8.2389
            10  O1a O    42.8346   -9.6149
            11  C1y C    34.3480  -13.1578
            12  C1y C    35.5608  -12.4556
            13  O2x O    34.3526  -14.5612
            14  C1y C    36.7896  -13.1460
            15  O1a O    35.5533  -11.0570
            16  C1x C    35.5653  -15.2678
            17  O2a O    38.0024  -12.4437
            18  C1y C    36.7965  -14.5573
            19  O1a O    38.0076  -15.2551
            20  C1y C    19.7789  -17.2631
            21  C1y C    19.8334  -18.6752
            22  O2x O    18.5697  -16.5509
            23  O2a O    20.9831  -19.3816
            24  C1y C    18.5522  -19.3619
            25  C1y C    17.3299  -17.2506
            26  C1y C    20.9545  -20.7793
            27  C1y C    17.3418  -18.6506
            28  O1a O    18.5451  -20.7712
            29  C6a C    16.1236  -16.5445
            30  C1y C    22.1738  -21.5002
            31  O2x O    19.7203  -21.4699
            32  O1a O    16.1075  -19.3411
            33  O6a O    16.1305  -15.1349
            34  O6a O    14.9051  -17.2369
            35  O2a O    23.3846  -20.8011
            36  C1y C    22.2178  -22.9048
            37  C1y C    19.7067  -22.8901
            38  C1y C    24.5877  -21.5123
            39  C1y C    20.9356  -23.5947
            40  O1a O    23.3511  -23.6160
            41  C1b C    18.5016  -23.5804
            42  O2x O    24.5818  -22.9084
            43  C1y C    25.8141  -20.8238
            44  O1a O    20.9088  -25.0008
            45  C1y C    25.7879  -23.6147
            46  C1y C    27.0303  -21.5250
            47  O1a O    25.8189  -19.4064
            48  C1y C    27.0073  -22.9246
            49  C1b C    25.7840  -25.0190
            50  O1a O    28.2425  -20.8349
            51  O1a O    28.2244  -23.6374
            52  O1a O    24.5657  -25.7054
            53  C1z C    27.0746  -14.4903
            54  C1z C    28.2924  -13.7850
            55  C1y C    25.8637  -13.7676
            56  C1x C    27.0746  -15.8882
            57  C1a C    27.6288  -13.0682
            58  C2y C    28.3112  -12.3874
            59  C1x C    29.4847  -14.5020
            60  C1a C    28.2807  -15.1828
            61  C1z C    24.6526  -14.4729
            62  C1x C    25.8824  -12.3700
            63  C1x C    25.8578  -16.5876
            64  C1y C    29.5207  -11.7067
            65  C2x C    27.0991  -11.6833
            66  C1x C    30.7084  -13.8097
            67  C1y C    24.6409  -15.8823
            68  C1x C    23.4361  -13.7676
            69  C1a C    24.6283  -13.0682
            70  C1z C    30.7201  -12.4179
            71  C1x C    29.5454  -10.3089
            72  C1z C    23.4361  -16.5747
            73  C1x C    22.2122  -14.4729
            74  C1y C    31.9369  -11.7371
            75  C1a C    31.3384  -11.0142
            76  C1z C    30.7622   -9.6224
            77  C1y C    22.2122  -15.8823
            78  C1b C    23.9184  -17.7985
            79  C1a C    22.7263  -17.7985
            80  O2a O    33.1475  -12.4600
            81  C1y C    31.8972  -10.3451
            82  C1a C    31.4616   -8.4076
            83  C1a C    30.0510   -8.4076
            84  O2a O    20.9956  -16.5747
            85  O1a O    33.1967   -9.6586
            86  O1a O    25.1829  -18.4257
            87  O1a O    17.2919  -22.8661
            88  O1a O    42.8537  -13.8276
BOND        97
            1    31  37 1
            2    38  35 1 #Up
            3    36  39 1
            4    36  40 1 #Up
            5    37  41 1 #Up
            6    38  42 1
            7    38  43 1
            8    39  44 1 #Up
            9    42  45 1
            10   43  46 1
            11   43  47 1 #Down
            12   45  48 1
            13   45  49 1 #Up
            14   46  50 1 #Up
            15   48  51 1 #Down
            16   49  52 1
            17   25  27 1
            18   37  39 1
            19   46  48 1
            20   11  12 1
            21   11  13 1
            22   12  14 1
            23   12  15 1 #Down
            24   13  16 1
            25   14  17 1 #Up
            26   14  18 1
            27   18  19 1 #Up
            28   16  18 1
            29    1  17 1 #Up
            30    7  10 1 #Down
            31    5   7 1
            32    1   2 1
            33    1   3 1
            34    2   4 1
            35    3   5 1
            36    3   6 1 #Down
            37    4   7 1
            38    4   8 1 #Up
            39    5   9 1 #Up
            40   20  21 1
            41   20  22 1
            42   21  23 1 #Down
            43   21  24 1
            44   22  25 1
            45   26  23 1 #Up
            46   24  27 1
            47   24  28 1 #Up
            48   25  29 1 #Up
            49   26  30 1
            50   26  31 1
            51   27  32 1 #Down
            52   29  33 1
            53   29  34 2
            54   53  54 1
            55   53  55 1
            56   53  56 1
            57   53  57 1 #Up
            58   54  58 1
            59   54  59 1
            60   54  60 1 #Down
            61   55  61 1
            62   55  62 1
            63   56  63 1
            64   58  64 1
            65   58  65 2
            66   59  66 1
            67   61  67 1
            68   61  68 1
            69   61  69 1 #Up
            70   64  70 1
            71   64  71 1
            72   67  72 1
            73   68  73 1
            74   70  74 1
            75   70  75 1 #Up
            76   71  76 1
            77   72  77 1
            78   72  78 1 #Up
            79   72  79 1 #Down
            80   74  80 1 #Up
            81   74  81 1
            82   76  82 1
            83   76  83 1
            84   77  84 1 #Up
            85   81  85 1 #Up
            86   62  65 1
            87   63  67 1
            88   66  70 1
            89   73  77 1
            90   76  81 1
            91   20  84 1 #Up
            92   30  35 1 #Down
            93   78  86 1
            94   11  80 1 #Up
            95   41  87 1
            96   30  36 1
            97    8  88 1

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