KEGG   COMPOUND: C08958
Entry
C08958                      Compound                               
Name
Lemmatoxin
Formula
C48H78O18
Exact mass
942.5188
Mol weight
943.1221
Structure
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Triterpenoids (C30)
   Others
    C08958  Lemmatoxin
Other DBs
CAS: 53043-29-1
PubChem: 11150
ChEBI: 6405
KNApSAcK: C00003532
3DMET: B02560
NIKKAJI: J65.666F
LinkDB
KCF data

ATOM        66
            1   C1y C    19.1507  -23.8892
            2   O2x O    17.9344  -24.5733
            3   C1y C    20.3572  -24.5967
            4   C1y C    17.9220  -25.9698
            5   C1y C    20.3482  -26.0020
            6   O1a O    21.5746  -23.9135
            7   C1y C    19.1310  -26.6854
            8   C1b C    16.6931  -26.6761
            9   O1a O    21.5549  -26.7095
            10  O1a O    19.1166  -28.0970
            11  C1y C    20.3520  -18.5771
            12  C1y C    20.3594  -19.9863
            13  O2x O    19.1358  -17.8857
            14  C1y C    19.1453  -20.6783
            15  O1a O    21.5719  -20.6837
            16  C1y C    17.9279  -18.5879
            17  C1y C    17.9327  -19.9810
            18  O2a O    19.1590  -22.0765
            19  C1b C    16.7102  -17.8875
            20  O2a O    16.7219  -20.6788
            21  O1a O    16.7073  -16.4822
            22  C1y C    15.5271  -21.3953
            23  O2x O    14.3091  -20.6844
            24  C1y C    15.5234  -22.7952
            25  C1y C    13.0941  -21.3775
            26  C1y C    14.2970  -23.4947
            27  O1a O    16.7194  -23.5037
            28  C1y C    13.0782  -22.7843
            29  C1b C    11.8808  -20.6790
            30  O1a O    14.2699  -24.8944
            31  O1a O    11.8659  -23.4825
            32  O1a O    11.8801  -19.2671
            33  C1z C    27.6368  -15.7956
            34  C1z C    28.8577  -15.0980
            35  C1y C    26.4403  -15.0920
            36  C1x C    27.6368  -17.1947
            37  C1a C    28.2610  -14.3908
            38  C2y C    28.8694  -13.7049
            39  C1x C    30.0540  -15.8131
            40  C1a C    28.8389  -16.5038
            41  C1z C    25.2265  -15.7839
            42  C1x C    26.4520  -13.6874
            43  C1x C    26.4286  -17.8969
            44  C1y C    30.0834  -13.0213
            45  C2x C    27.6731  -13.0039
            46  C1x C    31.2680  -15.1343
            47  C1y C    25.2207  -17.1829
            48  C1x C    24.0185  -15.0863
            49  C1a C    25.2148  -14.3779
            50  C1z C    31.2797  -13.7412
            51  C1x C    30.1080  -11.6340
            52  C1z C    24.0185  -17.8840
            53  C1x C    22.7975  -15.7839
            54  C1x C    32.5077  -13.0634
            55  C6a C    32.4889  -14.4319
            56  C1z C    31.3160  -10.9552
            57  C1y C    22.7975  -17.1829
            58  C1a C    23.2915  -19.1003
            59  C1a C    24.5724  -19.2360
            60  C1x C    32.4552  -11.6574
            61  O6a O    33.6981  -13.7353
            62  O6a O    32.4830  -15.8307
            63  C1a C    32.0126   -9.7283
            64  C1a C    30.6136   -9.7283
            65  O2a O    21.5707  -17.8840
            66  O1a O    15.4825  -25.9740
BOND        73
            1     5   7 1
            2     1   2 1
            3     1   3 1
            4     2   4 1
            5     3   5 1
            6     3   6 1 #Down
            7     4   7 1
            8     4   8 1 #Up
            9     5   9 1 #Up
            10    7  10 1 #Up
            11   11  12 1
            12   11  13 1
            13   12  14 1
            14   12  15 1 #Down
            15   13  16 1
            16   14  17 1
            17   14  18 1 #Up
            18   16  19 1 #Up
            19   17  20 1 #Down
            20   19  21 1
            21   22  20 1 #Up
            22   22  23 1
            23   22  24 1
            24   23  25 1
            25   24  26 1
            26   24  27 1 #Down
            27   25  28 1
            28   25  29 1 #Up
            29   26  30 1 #Up
            30   28  31 1 #Down
            31   29  32 1
            32   16  17 1
            33   26  28 1
            34   33  34 1
            35   33  35 1
            36   33  36 1
            37   33  37 1 #Up
            38   34  38 1
            39   34  39 1
            40   34  40 1 #Down
            41   35  41 1
            42   35  42 1
            43   36  43 1
            44   38  44 1
            45   38  45 2
            46   39  46 1
            47   41  47 1
            48   41  48 1
            49   41  49 1 #Up
            50   44  50 1
            51   44  51 1
            52   47  52 1
            53   48  53 1
            54   50  54 1
            55   50  55 1 #Up
            56   51  56 1
            57   52  57 1
            58   52  58 1
            59   52  59 1
            60   54  60 1
            61   55  61 1
            62   55  62 2
            63   56  63 1
            64   56  64 1
            65   57  65 1 #Up
            66   42  45 1
            67   43  47 1
            68   46  50 1
            69   53  57 1
            70   56  60 1
            71   11  65 1 #Up
            72    1  18 1 #Up
            73    8  66 1

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