KEGG   COMPOUND: C17566
Entry
C17566                      Compound                               
Name
Coixenolide
Formula
C38H70O4
Exact mass
590.5274
Mol weight
590.96
Structure
Other DBs
PubChem: 96023911
ChEBI: 81189
NIKKAJI: J2.398.032K
LinkDB
KCF data

ATOM        42
            1   C1c C    33.3481  -26.6135
            2   C1c C    34.5767  -27.3229
            3   C1a C    32.1194  -27.3229
            4   O7a O    35.7883  -26.6232
            5   C7a C    36.9916  -27.3179
            6   C1b C    38.1988  -26.6207
            7   O6a O    36.9918  -28.7415
            8   C1b C    39.4043  -27.3166
            9   C1b C    40.6103  -26.6201
            10  C1b C    41.8164  -27.3163
            11  C1b C    43.0222  -26.6199
            12  C1b C    44.2283  -27.3162
            13  C1b C    45.4341  -26.6198
            14  C1b C    46.6403  -27.3162
            15  C1b C    47.8460  -26.6198
            16  C2b C    49.0522  -27.3162
            17  C2b C    50.2580  -26.6198
            18  C1b C    51.4641  -27.3162
            19  C1b C    52.6699  -26.6198
            20  C1b C    53.8761  -27.3162
            21  C1b C    55.0818  -26.6198
            22  C1b C    56.2880  -27.3162
            23  C1a C    57.4938  -26.6198
            24  C1a C    34.5768  -28.7415
            25  O7a O    33.3481  -25.1947
            26  C7a C    32.1194  -24.4853
            27  C1b C    30.9079  -25.1850
            28  C1b C    29.7045  -24.4903
            29  C1b C    28.4974  -25.1875
            30  C1b C    27.2919  -24.4916
            31  C1b C    26.0858  -25.1881
            32  C1b C    24.8798  -24.4919
            33  C1b C    23.6740  -25.1883
            34  C2b C    22.4677  -24.4921
            35  C2b C    21.0489  -24.4921
            36  C1b C    19.8203  -25.2015
            37  C1b C    18.5725  -24.4810
            38  C1b C    17.3572  -25.1827
            39  C1b C    16.1558  -24.4891
            40  C1b C    14.9475  -25.1869
            41  C1a C    13.7427  -24.4912
            42  O6a O    32.1193  -23.0667
BOND        41
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     4   5 1
            5     5   6 1
            6     5   7 2
            7     6   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   16  17 2
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   22  23 1
            23    2  24 1 #Up
            24    1  25 1 #Up
            25   25  26 1
            26   26  27 1
            27   27  28 1
            28   28  29 1
            29   29  30 1
            30   30  31 1
            31   31  32 1
            32   32  33 1
            33   33  34 1
            34   34  35 2
            35   35  36 1
            36   36  37 1
            37   37  38 1
            38   38  39 1
            39   39  40 1
            40   40  41 1
            41   26  42 2

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