KEGG   COMPOUND: C17423
Entry
C17423                      Compound                               
Name
Soyasapogenol D
Formula
C31H52O3
Exact mass
472.3916
Mol weight
472.7428
Structure
Other DBs
CAS: 65892-76-4
PubChem: 96023773
ChEBI: 81077
NIKKAJI: J20.479J
LinkDB
KCF data

ATOM        34
            1   C1z C    26.9461  -22.0448
            2   C1z C    28.1359  -21.3449
            3   C1y C    25.6863  -21.3449
            4   C1x C    26.9461  -23.4446
            5   C2y C    28.1359  -19.9452
            6   C1x C    29.3257  -22.0448
            7   C1a C    28.1359  -22.7447
            8   C1z C    24.4965  -22.0448
            9   C1x C    25.6863  -19.9452
            10  C1x C    25.6863  -24.1444
            11  C2y C    29.3957  -19.2453
            12  C1x C    26.9461  -19.2453
            13  C1x C    30.5855  -21.3449
            14  C1y C    24.4965  -23.4446
            15  C1x C    23.3067  -21.3449
            16  C1z C    30.5855  -20.0151
            17  C1x C    29.3957  -17.8455
            18  C1z C    23.3067  -24.1444
            19  C1x C    22.1169  -22.0448
            20  C1y C    31.7753  -19.3153
            21  C1a C    31.7753  -20.9250
            22  C1z C    30.5855  -17.2156
            23  C1y C    22.1169  -23.4446
            24  C1b C    23.7266  -25.4742
            25  C1a C    22.6068  -25.3342
            26  C1x C    31.7753  -17.9155
            27  C1a C    31.2854  -15.9558
            28  C1a C    29.8856  -15.9558
            29  O1a O    20.9971  -24.1444
            30  O1a O    24.6365  -26.3841
            31  O2a O    32.9651  -20.0151
            32  C1a C    34.1549  -19.3153
            33  C1a C    26.9289  -20.7902
            34  C1a C    24.4965  -20.6500
BOND        38
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     2   7 1 #Down
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    5  11 2
            11    5  12 1
            12    6  13 1
            13    8  14 1
            14    8  15 1
            15   11  16 1
            16   11  17 1
            17   14  18 1
            18   15  19 1
            19   16  20 1
            20   16  21 1 #Up
            21   17  22 1
            22   18  23 1
            23   18  24 1 #Up
            24   18  25 1 #Down
            25   20  26 1
            26   22  27 1
            27   22  28 1
            28   23  29 1 #Up
            29    9  12 1
            30   10  14 1
            31   13  16 1
            32   19  23 1
            33   22  26 1
            34   24  30 1
            35   20  31 1 #Up
            36   31  32 1
            37    1  33 1 #Up
            38    8  34 1 #Up

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