KEGG   COMPOUND: C09101
Entry
C09101                      Compound                               
Name
Gnididilatin
Formula
C37H48O10
Exact mass
652.3247
Mol weight
652.771
Structure
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Diterpenoids (C20)
   Daphnanes
    C09101  Gnididilatin
Other DBs
CAS: 60195-69-9
PubChem: 11293
ChEBI: 5513
KNApSAcK: C00003432
3DMET: B05318
NIKKAJI: J37.145I
LinkDB
KCF data

ATOM        47
            1   C1z C    22.0200  -17.5304
            2   C1y C    23.1988  -18.1129
            3   C1y C    20.9942  -18.1305
            4   O2x O    23.0005  -16.8711
            5   C1y C    22.0737  -16.2246
            6   C1y C    24.3006  -17.3846
            7   C1y C    23.4837  -19.3956
            8   C1z C    20.5462  -19.3546
            9   C2x C    19.9684  -17.3204
            10  C1z C    24.1957  -12.9533
            11  C1y C    23.0295  -15.4834
            12  C1a C    20.7608  -15.6410
            13  C1z C    24.2831  -16.0671
            14  O2x O    25.6289  -17.8102
            15  C1z C    22.6562  -20.3350
            16  O2x O    23.8799  -20.4687
            17  C1y C    21.3443  -20.3934
            18  C5x C    19.2331  -19.3152
            19  O1a O    20.1759  -20.5326
            20  C2y C    18.8782  -18.0488
            21  O2x O    24.2072  -14.8954
            22  C1b C    24.1898  -12.1375
            23  O7a O    23.0180  -14.1776
            24  C2c C    25.6882  -15.2676
            25  C1b C    23.2981  -21.5358
            26  O1a O    21.3326  -21.7051
            27  O5x O    18.4173  -20.3351
            28  C1a C    17.6540  -17.5948
            29  C1b C    25.3206  -11.4839
            30  C7a C    21.8754  -13.5310
            31  C1a C    25.6823  -13.9559
            32  C2a C    26.8190  -15.9212
            33  O1a O    24.6157  -21.5358
            34  C1b C    26.4514  -12.1316
            35  C8y C    21.9279  -12.2193
            36  O6a O    20.7550  -14.1950
            37  C1b C    27.5766  -11.4723
            38  C8x C    23.0587  -11.5657
            39  C8x C    20.7958  -11.5714
            40  C1b C    28.7146  -12.1258
            41  C8x C    23.0530  -10.2597
            42  C8x C    20.7958  -10.2655
            43  C1b C    29.8396  -11.4663
            44  C8x C    21.9220   -9.6119
            45  C1b C    30.9762  -12.1142
            46  C1b C    32.1073  -11.4606
            47  C1a C    33.2381  -12.1082
BOND        53
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     1   5 1
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    5  11 1
            11    5  12 1 #Down
            12    6  13 1
            13    6  14 1 #Down
            14    7  15 1
            15    7  16 1
            16    8  17 1
            17    8  18 1
            18    8  19 1 #Up
            19    9  20 2
            20   10  21 1
            21   10  22 1
            22   11  23 1 #Up
            23   13  24 1 #Up
            24   15  25 1 #Up
            25   17  26 1 #Up
            26   18  27 2
            27   20  28 1
            28   22  29 1
            29   23  30 1
            30   24  31 1
            31   24  32 2
            32   25  33 1
            33   29  34 1
            34   30  35 1
            35   30  36 2
            36   34  37 1
            37   35  38 2
            38   35  39 1
            39   37  40 1
            40   38  41 1
            41   39  42 2
            42   40  43 1
            43   41  44 2
            44   43  45 1
            45   45  46 1
            46   46  47 1
            47   10  14 1
            48   11  13 1
            49   13  21 1 #Down
            50   15  16 1
            51   15  17 1
            52   18  20 1
            53   42  44 1

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