KEGG   COMPOUND: C19865
Entry
C19865                      Compound                               
Name
Soyasaponin III
Formula
C42H68O14
Exact mass
796.4609
Mol weight
796.9809
Structure
Reaction
Enzyme
2.4.1.272       2.4.1.273
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Triterpenoids (C30)
   Dammarenes
    C19865  Soyasaponin III
Other DBs
CAS: 55304-02-4
PubChem: 135626332
KCF data

ATOM        56
            1   C1y C    22.0948  -21.8843
            2   C1y C    22.1372  -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    19.6506  -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  O1a O    25.8215  -25.2783
            17  C1y C    24.6708  -27.4050
            18  C1y C    22.1751  -27.4687
            19  C1y C    23.4788  -28.1393
            20  O1a O    25.8878  -28.0806
            21  C1b C    21.0420  -28.1985
            22  O1a O    23.5092  -29.5454
            23  C1y C    28.1636  -18.4104
            24  C1z C    29.3653  -19.1193
            25  C1z C    26.9490  -19.1077
            26  C1x C    28.1053  -17.0145
            27  C1z C    30.5681  -18.4220
            28  C1x C    29.3653  -20.5152
            29  C1a C    29.9765  -17.8516
            30  C1y C    26.9431  -20.5036
            31  C1x C    25.7272  -18.4046
            32  C1a C    26.9373  -17.7060
            33  C2x C    29.3828  -16.3217
            34  C2y C    30.5856  -17.0318
            35  C1x C    31.7713  -19.1368
            36  C1a C    30.5565  -19.8179
            37  C1x C    28.1520  -21.2079
            38  C1z C    25.7272  -21.2020
            39  C1x C    24.5139  -19.1077
            40  C1y C    31.8060  -16.3579
            41  C1x C    32.9845  -18.4580
            42  C1y C    24.5139  -20.5036
            43  C1b C    26.3031  -22.5574
            44  C1a C    25.0196  -22.4168
            45  C1z C    32.9962  -17.0680
            46  C1x C    31.7535  -14.9678
            47  O2a O    23.3134  -21.2020
            48  C1y C    34.1967  -16.3927
            49  C1a C    33.6830  -15.6721
            50  C1z C    33.0381  -14.2877
            51  C1x C    34.2142  -15.0027
            52  O1a O    35.4127  -17.1027
            53  C1a C    33.3947  -12.9365
            54  C1a C    32.3210  -13.0767
            55  O1a O    27.5451  -22.9901
            56  O1a O    19.8287  -27.5626
BOND        62
            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   17  19 1
            19   17  20 1 #Up
            20   18  21 1 #Up
            21   19  22 1 #Up
            22    6   8 1
            23   18  19 1
            24   23  24 1
            25   23  25 1
            26   23  26 1
            27   24  27 1
            28   24  28 1
            29   24  29 1 #Up
            30   25  30 1
            31   25  31 1
            32   25  32 1 #Up
            33   26  33 1
            34   27  34 1
            35   27  35 1
            36   27  36 1 #Down
            37   28  37 1
            38   30  38 1
            39   31  39 1
            40   34  40 1
            41   35  41 1
            42   38  42 1
            43   38  43 1 #Up
            44   38  44 1 #Down
            45   40  45 1
            46   40  46 1
            47   42  47 1 #Up
            48   45  48 1
            49   45  49 1 #Up
            50   46  50 1
            51   48  51 1
            52   48  52 1 #Up
            53   50  53 1
            54   50  54 1
            55   30  37 1
            56   33  34 2
            57   39  42 1
            58   41  45 1
            59   50  51 1
            60    1  47 1 #Up
            61   43  55 1
            62   21  56 1

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