KEGG   COMPOUND: C08930Help
Entry
C08930                      Compound                               

Name
Azukisaponin III
Formula
C42H66O15
Exact mass
810.4402
Mol weight
810.9644
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Triterpenoids (C30)
   Others
    C08930  Azukisaponin III
BRITE hierarchy
Other DBs
CAS: 82801-38-5
PubChem: 11122
ChEBI: 2961
KNApSAcK: C00003504
3DMET: B02535
NIKKAJI: J2.767.401A
KCF data Show

ATOM        57
            1   C1y C    21.4017  -30.6945
            2   C1y C    21.4325  -32.0950
            3   O2x O    20.1661  -30.0239
            4   O2a O    22.6682  -32.7657
            5   C1y C    20.2427  -32.8332
            6   C1y C    19.0415  -30.7595
            7   C1y C    22.7046  -34.1561
            8   C1y C    19.0070  -32.1628
            9   O1a O    20.2786  -34.0267
            10  C6a C    17.7357  -30.0888
            11  O2x O    21.5824  -34.8864
            12  C1y C    23.9401  -34.8267
            13  O1a O    17.8123  -32.8984
            14  O6a O    17.6971  -28.6906
            15  O6a O    16.5458  -30.8271
            16  C1y C    21.5483  -36.2897
            17  C1y C    23.9656  -36.2243
            18  O1a O    25.1401  -34.0940
            19  C1y C    22.7736  -36.9548
            20  C1b C    20.3511  -37.0174
            21  O1a O    25.2064  -36.8978
            22  O1a O    22.8147  -38.3610
            23  C1y C    27.4737  -27.1984
            24  C1z C    28.6813  -27.9159
            25  C1z C    26.2661  -27.8985
            26  C1x C    27.4154  -25.8042
            27  C1z C    29.8947  -27.2160
            28  C1x C    28.6813  -29.3160
            29  C1a C    29.2296  -26.5043
            30  C1y C    26.2604  -29.3044
            31  C1x C    25.0528  -27.1984
            32  C1a C    26.2545  -26.4984
            33  C2x C    28.7047  -25.1158
            34  C2y C    29.9123  -25.8216
            35  C1x C    31.0965  -27.9335
            36  C1a C    29.8832  -28.6102
            37  C1x C    27.4621  -30.0044
            38  C1z C    25.0528  -29.9987
            39  C1x C    23.8335  -27.8985
            40  C1y C    31.1315  -25.1449
            41  C1x C    32.3158  -27.2451
            42  C1y C    23.8335  -29.3044
            43  C1b C    25.7586  -31.2821
            44  C1a C    24.3351  -31.2120
            45  C1z C    32.3275  -25.8509
            46  C1x C    31.1490  -23.7507
            47  O2a O    22.6200  -30.0044
            48  C1x C    33.5467  -25.1742
            49  C1a C    32.8758  -24.4449
            50  C1z C    32.3682  -23.0681
            51  C1x C    33.5641  -23.7798
            52  C1a C    31.6507  -21.8431
            53  C6a C    33.0566  -21.8431
            54  O6a O    32.6873  -20.4875
            55  O6a O    34.4496  -21.8409
            56  O1a O    27.2164  -31.9955
            57  O1a O    19.1270  -36.3469
BOND        63
            1     8  13 1 #Down
            2    10  14 1
            3    10  15 2
            4    11  16 1
            5    12  17 1
            6    12  18 1 #Down
            7    16  19 1
            8    16  20 1 #Up
            9    17  21 1 #Up
            10   19  22 1 #Down
            11    6   8 1
            12   17  19 1
            13    1   2 1
            14    1   3 1
            15    2   4 1 #Down
            16    2   5 1
            17    3   6 1
            18    7   4 1 #Up
            19    5   8 1
            20    5   9 1 #Up
            21    6  10 1 #Up
            22   23  24 1
            23   23  25 1
            24   23  26 1
            25   24  27 1
            26   24  28 1
            27   24  29 1 #Up
            28   25  30 1
            29   25  31 1
            30   25  32 1 #Up
            31   26  33 1
            32   27  34 1
            33   27  35 1
            34   27  36 1 #Down
            35   28  37 1
            36   30  38 1
            37   31  39 1
            38   34  40 1
            39   35  41 1
            40   38  42 1
            41   38  43 1 #Up
            42   38  44 1 #Down
            43   40  45 1
            44   40  46 1
            45   42  47 1 #Up
            46   45  48 1
            47   45  49 1 #Up
            48   46  50 1
            49   48  51 1
            50   50  52 1 #Up
            51   50  53 1 #Down
            52   30  37 1
            53   33  34 2
            54   39  42 1
            55   41  45 1
            56   50  51 1
            57    1  47 1 #Up
            58    7  11 1
            59   53  54 2
            60    7  12 1
            61   53  55 1
            62   43  56 1
            63   20  57 1

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