KEGG   COMPOUND: C17812
Entry
C17812                      Compound                               
Name
Lappaol D
Formula
C31H36O10
Exact mass
568.2308
Mol weight
568.6115
Structure
Other DBs
PubChem: 96024117
ChEBI: 81350
KNApSAcK: C00030637
NIKKAJI: J2.403.588C
LinkDB
KCF data

ATOM        41
            1   C1y C    19.7205  -27.2310
            2   C1y C    19.7205  -25.8199
            3   C1x C    18.3799  -25.3966
            4   O7x O    17.5332  -26.5254
            5   C7x C    18.3799  -27.6543
            6   O6a O    17.9566  -28.9949
            7   C1b C    20.9199  -25.1143
            8   C8y C    20.9199  -23.7032
            9   C8x C    22.1193  -22.9977
            10  C8x C    22.1193  -21.5866
            11  C8y C    20.9199  -20.8810
            12  C8y C    19.7205  -21.5866
            13  C8x C    19.7205  -22.9977
            14  O2a O    20.9199  -19.4699
            15  C1a C    19.7205  -18.7644
            16  O2a O    18.5210  -20.8810
            17  C1a C    17.3216  -21.5866
            18  C1b C    20.9199  -27.9365
            19  C8y C    22.1193  -27.2310
            20  C8x C    23.3471  -27.9266
            21  C8y C    24.4928  -27.2111
            22  C8y C    24.4819  -25.8000
            23  C8y C    23.3241  -25.1045
            24  C8x C    22.1078  -25.8199
            25  O2a O    23.3127  -23.7032
            26  C1a C    24.5347  -22.9977
            27  O1a O    25.7515  -25.1342
            28  C1c C    25.7399  -27.9371
            29  C1c C    26.9478  -27.2452
            30  C8y C    28.1382  -27.9381
            31  C8x C    28.1332  -29.3475
            32  C8x C    29.3528  -30.0574
            33  C8y C    30.5774  -29.3561
            34  C8y C    30.5823  -27.9466
            35  C8x C    29.3627  -27.2368
            36  C1b C    25.7350  -29.3475
            37  O1a O    26.9570  -30.0531
            38  O1a O    26.9525  -25.9615
            39  O2a O    31.8139  -27.2414
            40  C1a C    33.0076  -27.9362
            41  O1a O    31.7996  -30.0675
BOND        44
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     5   6 2
            7     2   7 1
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11   10  11 2
            12   11  12 1
            13   12  13 2
            14    8  13 1
            15   11  14 1
            16   14  15 1
            17   12  16 1
            18   16  17 1
            19    1  18 1
            20   18  19 1
            21   19  20 1
            22   20  21 2
            23   21  22 1
            24   22  23 2
            25   23  24 1
            26   19  24 2
            27   23  25 1
            28   25  26 1
            29   22  27 1
            30   21  28 1
            31   28  29 1
            32   29  30 1
            33   30  31 2
            34   31  32 1
            35   32  33 2
            36   33  34 1
            37   34  35 2
            38   30  35 1
            39   28  36 1
            40   36  37 1
            41   29  38 1
            42   34  39 1
            43   39  40 1
            44   33  41 1

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