KEGG   COMPOUND: C17685Help
Entry
C17685                      Compound                               

Name
Lappaol B
Formula
C31H34O9
Exact mass
550.2203
Mol weight
550.5963
Structure
Mol fileKCF fileDB searchJmolKegDraw
Other DBs
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ChEBI: 
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KCF data Show

ATOM        40
            1   C8y C    31.7894  -30.3872
            2   C8y C    31.7894  -31.7876
            3   C8x C    30.5991  -32.4878
            4   C8y C    29.3388  -31.7876
            5   C8x C    29.3388  -30.3872
            6   C8y C    30.5991  -29.6871
            7   C1y C    33.1198  -32.2077
            8   C1y C    33.9600  -31.0874
            9   O2x O    33.1198  -29.9671
            10  C8y C    35.3604  -31.0874
            11  C8x C    36.0606  -32.2778
            12  C8y C    37.5309  -32.2778
            13  C8y C    38.2311  -31.0874
            14  C8x C    37.5309  -29.8971
            15  C8x C    36.0606  -29.8971
            16  O1a O    39.6315  -31.0874
            17  O2a O    38.2311  -33.4681
            18  C1a C    39.6315  -33.4681
            19  C1b C    33.1198  -33.6081
            20  O2a O    30.5991  -28.2867
            21  C1a C    31.7894  -27.5865
            22  O1a O    34.3101  -34.3083
            23  C1b C    28.1484  -32.4878
            24  C1y C    26.8881  -31.7876
            25  C1y C    26.8881  -30.3872
            26  C7x C    25.5578  -32.2077
            27  O7x O    24.7175  -31.0874
            28  C1x C    25.5578  -29.9671
            29  C1b C    28.0784  -29.6871
            30  C8y C    28.0784  -28.2867
            31  C8x C    29.2687  -27.5865
            32  C8x C    29.2687  -26.1861
            33  C8y C    28.0784  -25.4859
            34  C8y C    26.8881  -26.1861
            35  C8x C    26.8881  -27.5865
            36  O2a O    28.0784  -24.0155
            37  O2a O    25.6978  -25.4859
            38  C1a C    24.5075  -26.1861
            39  C1a C    26.8657  -23.3154
            40  O6a O    25.1312  -33.5359
BOND        44
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     2   7 1
            8     7   8 1
            9     8   9 1
            10    1   9 1
            11    8  10 1 #Down
            12   10  11 2
            13   11  12 1
            14   12  13 2
            15   13  14 1
            16   14  15 2
            17   10  15 1
            18   13  16 1
            19   12  17 1
            20   17  18 1
            21    7  19 1 #Up
            22    6  20 1
            23   20  21 1
            24   19  22 1
            25    4  23 1
            26   24  23 1 #Up
            27   25  24 1
            28   24  26 1
            29   26  27 1
            30   27  28 1
            31   25  28 1
            32   25  29 1 #Down
            33   29  30 1
            34   30  31 2
            35   31  32 1
            36   32  33 2
            37   33  34 1
            38   34  35 2
            39   30  35 1
            40   33  36 1
            41   34  37 1
            42   37  38 1
            43   36  39 1
            44   26  40 2

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