KEGG   COMPOUND: C17545Help
Entry
C17545                      Compound                               

Name
Chikusetsusaponin Ib
Formula
C47H74O18
Exact mass
926.4875
Mol weight
927.0797
Structure
Mol fileKCF fileDB searchJmolKegDraw
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Triterpenoids (C30)
   Oleananes
    C17545  Chikusetsusaponin Ib
Major components of natural products [BR:br08323]
 Crude drugs
  Panax rhizome
   C17545  Chikusetsusaponin Ib
BRITE hierarchy
Other DBs
PubChem: 
ChEBI: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        65
            1   C1z C    21.6300  -16.1700
            2   C1z C    22.8200  -15.4700
            3   C1y C    20.4400  -15.4700
            4   C1x C    21.6300  -17.5700
            5   C1a C    22.1900  -15.0500
            6   C2y C    22.8200  -14.0700
            7   C1x C    24.0100  -16.1700
            8   C1a C    22.8200  -16.8700
            9   C1z C    19.1800  -16.1700
            10  C1x C    20.4400  -14.0700
            11  C1x C    20.4400  -18.2000
            12  C1y C    24.0800  -13.3700
            13  C2x C    21.6300  -13.3700
            14  C1x C    25.2700  -15.4700
            15  C1y C    19.1800  -17.5000
            16  C1x C    17.9900  -15.4700
            17  C1a C    19.1800  -14.7700
            18  C1z C    25.2700  -14.0700
            19  C1x C    24.0800  -12.0400
            20  C1z C    17.9900  -18.2000
            21  C1x C    16.8000  -16.1700
            22  C1x C    26.4600  -13.4400
            23  C6a C    26.4600  -14.7700
            24  C1z C    25.2700  -11.3400
            25  C1y C    16.8000  -17.5000
            26  C1a C    17.2900  -19.6000
            27  C1a C    18.6200  -19.7400
            28  C1x C    26.4600  -12.0400
            29  O6a O    27.6500  -14.0700
            30  O6a O    26.5300  -16.1700
            31  C1a C    25.9700  -10.0100
            32  C1a C    24.5700  -10.1500
            33  O2a O    15.6100  -18.2000
            34  C1y C    14.4200  -18.9000
            35  O2x O    13.1600  -18.2700
            36  C1y C    11.9700  -18.9000
            37  C1y C    11.9700  -20.3000
            38  C1y C    13.1600  -21.0000
            39  C1y C    14.4200  -20.3000
            40  C7a C    10.7100  -18.2000
            41  O1a O    13.1600  -22.4000
            42  O2a O    10.7800  -21.0000
            43  O1a O    15.6100  -21.0700
            44  O6a O     9.5200  -18.9000
            45  O7a O    10.7100  -16.8000
            46  C1y C     9.5900  -21.7000
            47  C1y C     9.1700  -23.0300
            48  C1y C     7.7700  -23.0300
            49  O2x O     8.4700  -20.8600
            50  C1y C     7.3500  -21.7000
            51  C1b C     6.0170  -21.2720
            52  O1a O     4.8046  -21.9720
            53  O1a O     6.7801  -24.0199
            54  O1a O    10.1599  -24.0199
            55  C1y C     9.4976  -16.1000
            56  O2x O     9.4976  -14.7002
            57  C1y C     8.2851  -14.0002
            58  C1y C     7.0727  -14.7002
            59  C1y C     7.0727  -16.1000
            60  C1y C     8.2851  -16.8000
            61  C1b C     8.2851  -12.6002
            62  O1a O     5.8582  -16.8012
            63  O1a O     5.8582  -13.9990
            64  O1a O     8.2851  -18.1998
            65  O1a O     7.0727  -11.9002
BOND        72
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     2   8 1 #Down
            8     3   9 1
            9     3  10 1
            10    4  11 1
            11    6  12 1
            12    6  13 2
            13    7  14 1
            14    9  15 1
            15    9  16 1
            16    9  17 1 #Up
            17   12  18 1
            18   12  19 1
            19   15  20 1
            20   16  21 1
            21   18  22 1
            22   18  23 1 #Up
            23   19  24 1
            24   20  25 1
            25   20  26 1
            26   20  27 1
            27   22  28 1
            28   23  29 1
            29   23  30 2
            30   24  31 1
            31   24  32 1
            32   25  33 1 #Up
            33   10  13 1
            34   11  15 1
            35   14  18 1
            36   21  25 1
            37   24  28 1
            38   34  33 1 #Up
            39   34  35 1
            40   35  36 1
            41   36  37 1
            42   37  38 1
            43   38  39 1
            44   34  39 1
            45   36  40 1 #Up
            46   38  41 1 #Up
            47   37  42 1 #Down
            48   39  43 1 #Down
            49   40  44 2
            50   40  45 1
            51   46  42 1 #Up
            52   47  48 1
            53   47  46 1
            54   46  49 1
            55   49  50 1
            56   48  50 1
            57   50  51 1 #Down
            58   51  52 1
            59   48  53 1 #Up
            60   47  54 1 #Down
            61   55  45 1 #Up
            62   55  56 1
            63   56  57 1
            64   57  58 1
            65   58  59 1
            66   59  60 1
            67   55  60 1
            68   57  61 1 #Up
            69   59  62 1 #Up
            70   58  63 1 #Down
            71   60  64 1 #Down
            72   61  65 1

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