KEGG   COMPOUND: C12335
Entry
C12335                      Compound                               
Name
Militarinone C
Formula
C26H33NO4
Exact mass
423.241
Mol weight
423.5445
Structure
Other DBs
PubChem: 582725
ChEBI: 31852
KNApSAcK: C00044934
NIKKAJI: J1.889.855A
LinkDB
KCF data

ATOM        31
            1   C5x C    24.4531  -20.7724
            2   C2y C    24.8896  -19.4397
            3   C5x C    23.7521  -18.6125
            4   C1y C    22.6148  -19.4397
            5   N1x N    23.0511  -20.7724
            6   C1b C    21.4013  -18.7329
            7   C8y C    20.1904  -19.4339
            8   C8x C    18.9778  -18.7358
            9   C8x C    17.7670  -19.4368
            10  C8y C    17.7687  -20.8359
            11  C8x C    18.9812  -21.5341
            12  C8x C    20.1921  -20.8331
            13  O1a O    16.5553  -21.5385
            14  O5x O    25.2759  -21.9076
            15  O5x O    23.7521  -17.2105
            16  C2c C    26.0960  -18.7329
            17  C2b C    27.3069  -19.4269
            18  C2b C    28.5177  -18.7259
            19  C2b C    29.7286  -19.4198
            20  C2b C    30.9395  -18.7188
            21  C2c C    32.1503  -19.4126
            22  C2b C    33.3612  -18.7116
            23  C1c C    34.5720  -19.4057
            24  C1b C    35.7829  -18.7047
            25  C1c C    36.9938  -19.3985
            26  C1b C    38.2046  -18.6975
            27  C1a C    39.4155  -19.3914
            28  O1a O    26.0894  -17.3308
            29  C1a C    32.1534  -20.8147
            30  C1a C    34.5751  -20.8077
            31  C1a C    36.9968  -20.8006
BOND        32
            1     3  15 2
            2     2   3 1
            3     2  16 2
            4     3   4 1
            5    16  17 1
            6     4   5 1
            7    17  18 2
            8     5   1 1
            9    18  19 1
            10   19  20 2
            11    7   8 1
            12   20  21 1
            13    8   9 2
            14   21  22 2
            15    9  10 1
            16   22  23 1
            17   10  11 2
            18   23  24 1
            19   11  12 1
            20   24  25 1
            21   12   7 2
            22   25  26 1
            23    4   6 1
            24   26  27 1
            25   10  13 1
            26   16  28 1
            27    1   2 1
            28   21  29 1
            29    1  14 2
            30   23  30 1 #Up
            31    6   7 1
            32   25  31 1 #Up

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