KEGG   COMPOUND: C08983
Entry
C08983                      Compound                               
Name
Soyasaponin I
Formula
C48H78O18
Exact mass
942.5188
Mol weight
943.1221
Structure
Reaction
Enzyme
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Triterpenoids (C30)
   Dammarenes
    C08983  Soyasaponin I
Other DBs
CAS: 51330-27-9
PubChem: 11175
ChEBI: 9211
KNApSAcK: C00003553
3DMET: B02585
NIKKAJI: J21.686K
LinkDB
KCF data

ATOM        66
            1   C1y C    22.0948  -21.8843
            2   C1y C    22.0672  -23.2689
            3   O2x O    20.8663  -21.2234
            4   O2a O    23.3658  -23.9365
            5   C1y C    20.9493  -24.0071
            6   C1y C    19.6744  -21.9379
            7   C1y C    23.4067  -25.3353
            8   C1y C    19.7206  -23.3393
            9   O1a O    20.9825  -25.4081
            10  C6a C    18.4407  -21.2743
            11  C1y C    24.6377  -26.0039
            12  O2x O    22.2010  -26.0632
            13  O1a O    18.5172  -24.0820
            14  O6a O    18.4065  -19.8873
            15  O6a O    17.2554  -22.0133
            16  O2a O    25.8215  -25.2783
            17  C1y C    24.6708  -27.4050
            18  C1y C    22.1751  -27.4687
            19  C1y C    27.0346  -25.9436
            20  C1y C    23.4788  -28.1393
            21  O1a O    25.8878  -28.0806
            22  C1b C    21.0420  -28.1985
            23  C1y C    28.2172  -25.1861
            24  O2x O    27.0348  -27.3519
            25  O1a O    23.5092  -29.5454
            26  C1y C    29.4620  -25.8292
            27  O1a O    28.1491  -23.8005
            28  C1y C    28.3574  -27.9889
            29  C1y C    29.4619  -27.2237
            30  O1a O    30.6355  -25.0637
            31  C1a C    28.4328  -29.3853
            32  O1a O    30.7807  -27.8547
            33  C1y C    28.1636  -18.4104
            34  C1z C    29.3653  -19.1193
            35  C1z C    26.9490  -19.1077
            36  C1x C    28.1053  -17.0145
            37  C1z C    30.5681  -18.4220
            38  C1x C    29.3653  -20.5152
            39  C1a C    29.9765  -17.8516
            40  C1y C    26.9431  -20.5036
            41  C1x C    25.7272  -18.4046
            42  C1a C    26.9373  -17.7060
            43  C2x C    29.3828  -16.3217
            44  C2y C    30.5856  -17.0318
            45  C1x C    31.7713  -19.1368
            46  C1a C    30.5565  -19.8179
            47  C1x C    28.1520  -21.2079
            48  C1z C    25.7272  -21.2020
            49  C1x C    24.5139  -19.1077
            50  C1y C    31.8060  -16.3579
            51  C1x C    32.9845  -18.4580
            52  C1y C    24.5139  -20.5036
            53  C1b C    26.3031  -22.5574
            54  C1a C    25.0196  -22.4168
            55  C1z C    32.9962  -17.0680
            56  C1x C    31.7535  -14.9678
            57  O2a O    23.3134  -21.2020
            58  C1y C    34.1967  -16.3927
            59  C1a C    33.6830  -15.6721
            60  C1z C    33.0381  -14.2877
            61  C1x C    34.2142  -15.0027
            62  O1a O    35.4127  -17.1027
            63  C1a C    33.3947  -12.9365
            64  C1a C    32.3210  -13.0767
            65  O1a O    27.5451  -22.9901
            66  O1a O    19.8178  -27.5208
BOND        73
            1     1   2 1
            2     1   3 1
            3     2   4 1 #Down
            4     2   5 1
            5     3   6 1
            6     7   4 1 #Up
            7     5   8 1
            8     5   9 1 #Up
            9     6  10 1 #Up
            10    7  11 1
            11    7  12 1
            12    8  13 1 #Down
            13   10  14 1
            14   10  15 2
            15   11  16 1 #Down
            16   11  17 1
            17   12  18 1
            18   19  16 1 #Up
            19   17  20 1
            20   17  21 1 #Up
            21   18  22 1 #Up
            22   19  23 1
            23   19  24 1
            24   20  25 1 #Up
            25   23  26 1
            26   23  27 1 #Down
            27   24  28 1
            28   26  29 1
            29   26  30 1 #Down
            30   28  31 1 #Down
            31   29  32 1 #Up
            32    6   8 1
            33   18  20 1
            34   33  34 1
            35   33  35 1
            36   33  36 1
            37   34  37 1
            38   34  38 1
            39   34  39 1 #Up
            40   35  40 1
            41   35  41 1
            42   35  42 1 #Up
            43   36  43 1
            44   37  44 1
            45   37  45 1
            46   37  46 1 #Down
            47   38  47 1
            48   40  48 1
            49   41  49 1
            50   44  50 1
            51   45  51 1
            52   48  52 1
            53   48  53 1 #Up
            54   48  54 1 #Down
            55   50  55 1
            56   50  56 1
            57   52  57 1 #Up
            58   55  58 1
            59   55  59 1 #Up
            60   56  60 1
            61   58  61 1
            62   58  62 1 #Up
            63   60  63 1
            64   60  64 1
            65   40  47 1
            66   43  44 2
            67   49  52 1
            68   51  55 1
            69   60  61 1
            70    1  57 1 #Up
            71   28  29 1
            72   53  65 1
            73   22  66 1

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