KEGG   COMPOUND: C17540Help
Entry
C17540                      Compound                               

Name
Chikusetsusaponin IV;
Araloside A
Formula
C47H74O18
Exact mass
926.4875
Mol weight
927.0797
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Triterpenoids (C30)
   Oleananes
    C17540  Chikusetsusaponin IV
Major components of natural products [BR:br08323]
 Crude drugs
  Panax rhizome
   C17540  Chikusetsusaponin IV
BRITE hierarchy
Other DBs
CAS: 7518-22-1
PubChem: 96023885
ChEBI: 67975
ChEMBL: CHEMBL1773982
KNApSAcK: C00032814 C00038486
NIKKAJI: J39.348G
LinkDB All DBs
KCF data Show

ATOM        65
            1   C1z C    34.4046  -21.6649
            2   C1y C    34.4046  -23.0703
            3   C1x C    35.5992  -23.7730
            4   C1z C    36.8640  -23.0703
            5   C1x C    36.8640  -21.6649
            6   C1x C    35.5992  -20.9622
            7   C1x C    33.2101  -20.9622
            8   C1x C    31.9452  -21.6649
            9   C1z C    31.9452  -23.0703
            10  C2y C    33.2101  -23.7730
            11  C1z C    30.7506  -23.7730
            12  C1y C    30.7506  -25.1783
            13  C1x C    31.9452  -25.8810
            14  C2x C    33.2101  -25.1783
            15  C1x C    29.5561  -23.0703
            16  C1x C    28.2912  -23.7730
            17  C1y C    28.2912  -25.1783
            18  C1z C    29.5561  -25.8810
            19  C1z C    27.0967  -25.8810
            20  C1y C    27.0967  -27.2864
            21  C1x C    28.2912  -27.9891
            22  C1x C    29.5561  -27.2864
            23  C7a C    34.4046  -20.2595
            24  O7a O    35.5992  -19.5568
            25  O6a O    33.2101  -19.5568
            26  C1a C    31.9452  -24.1243
            27  C1a C    30.7506  -22.3676
            28  C1a C    29.5561  -24.6162
            29  C1a C    25.9021  -25.1783
            30  C1a C    25.9021  -26.5837
            31  O2a O    25.9021  -27.9891
            32  C1y C    24.6372  -28.6918
            33  O2x O    23.4427  -27.9188
            34  C1y C    22.1778  -28.6215
            35  C1y C    22.1778  -30.0269
            36  C1y C    23.4427  -30.7296
            37  C1y C    24.6372  -30.0972
            38  C6a C    20.9833  -27.9188
            39  O6a O    19.7887  -28.6215
            40  O6a O    20.9833  -26.5135
            41  O2a O    20.9833  -30.7296
            42  O1a O    23.4427  -32.1350
            43  O1a O    25.8318  -30.7999
            44  C1y C    19.7184  -31.3620
            45  O2x O    18.5941  -30.5188
            46  C1y C    17.3995  -31.3620
            47  C1y C    17.8212  -32.6971
            48  C1y C    19.2265  -32.6971
            49  C1b C    16.2050  -30.6593
            50  O1a O    15.0104  -31.3620
            51  O1a O    16.9779  -33.8214
            52  O1a O    19.9995  -33.8214
            53  C1a C    38.0586  -23.7730
            54  C1a C    36.8640  -24.4757
            55  C1y C    36.7235  -18.7136
            56  O2x O    36.7235  -17.3082
            57  C1y C    37.9181  -19.4163
            58  C1y C    39.1829  -18.7136
            59  C1y C    39.1829  -17.3082
            60  C1y C    37.9181  -16.6055
            61  C1b C    37.9008  -15.2003
            62  O1a O    39.1219  -14.4750
            63  O1a O    40.3942  -16.5955
            64  O1a O    40.3942  -19.4263
            65  O1a O    37.9008  -20.8216
BOND        72
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     1   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    2  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 2
            17   11  15 1
            18   15  16 1
            19   16  17 1
            20   17  18 1
            21   12  18 1
            22   17  19 1
            23   19  20 1
            24   20  21 1
            25   21  22 1
            26   18  22 1
            27    1  23 1 #Down
            28   23  24 1
            29   23  25 2
            30    9  26 1 #Up
            31   11  27 1 #Down
            32   18  28 1 #Down
            33   19  29 1
            34   19  30 1
            35   20  31 1 #Down
            36   32  31 1 #Up
            37   32  33 1
            38   33  34 1
            39   34  35 1
            40   35  36 1
            41   36  37 1
            42   32  37 1
            43   34  38 1 #Up
            44   38  39 2
            45   38  40 1
            46   35  41 1 #Down
            47   36  42 1 #Up
            48   37  43 1 #Down
            49   44  41 1 #Up
            50   44  45 1
            51   45  46 1
            52   46  47 1
            53   47  48 1
            54   44  48 1
            55   46  49 1 #Down
            56   49  50 1
            57   47  51 1 #Up
            58   48  52 1 #Down
            59    4  53 1
            60    4  54 1
            61   55  24 1 #Down
            62   56  55 1
            63   55  57 1
            64   57  58 1
            65   58  59 1
            66   59  60 1
            67   56  60 1
            68   60  61 1 #Down
            69   61  62 1
            70   59  63 1 #Up
            71   58  64 1 #Down
            72   57  65 1 #Up

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