KEGG   COMPOUND: C12334
Entry
C12334                      Compound                               

Name
Militarinone B
Formula
C26H33NO5
Exact mass
439.2359
Mol weight
439.5439
Structure
Other DBs
PubChem: 582724
ChEBI: 70184
ChEMBL: CHEMBL478579
KNApSAcK: C00041673
NIKKAJI: J1.889.854C
KCF data

ATOM        32
            1   C5x C    24.4862  -20.7698
            2   C2y C    24.9226  -19.4373
            3   C5x C    23.7852  -18.6100
            4   C1y C    22.6479  -19.4373
            5   N1x N    23.0842  -20.7698
            6   C1c C    21.4344  -18.7305
            7   C8y C    20.2236  -19.4315
            8   C8x C    19.0111  -18.7334
            9   C8x C    17.8003  -19.4344
            10  C8y C    17.8020  -20.8335
            11  C8x C    19.0145  -21.5316
            12  C8x C    20.2253  -20.8306
            13  O1a O    16.5886  -21.5358
            14  O5x O    25.3088  -21.9050
            15  O5x O    23.7850  -17.2080
            16  C2c C    26.1290  -18.7305
            17  C2b C    27.3398  -19.4244
            18  C2b C    28.5506  -18.7234
            19  C2b C    29.7614  -19.4172
            20  C2b C    30.9722  -18.7162
            21  C2c C    32.1830  -19.4102
            22  C2b C    33.3939  -18.7093
            23  C1c C    34.6047  -19.4031
            24  C1b C    35.8155  -18.7021
            25  C1c C    37.0263  -19.3960
            26  C1b C    38.2371  -18.6950
            27  C1a C    39.4479  -19.3890
            28  O1a O    26.1222  -17.3285
            29  C1a C    32.1861  -20.8122
            30  C1a C    34.6077  -20.8051
            31  C1a C    37.0294  -20.7980
            32  O1a O    21.4361  -17.3285
BOND        33
            1     2   3 1
            2     2  16 2
            3     3   4 1
            4    16  17 1
            5     4   5 1
            6    17  18 2
            7     5   1 1
            8    18  19 1
            9    19  20 2
            10    7   8 1
            11   20  21 1
            12    8   9 2
            13   21  22 2
            14    9  10 1
            15   22  23 1
            16   10  11 2
            17   23  24 1
            18   11  12 1
            19   24  25 1
            20   12   7 2
            21   25  26 1
            22    4   6 1
            23   26  27 1
            24   10  13 1
            25   16  28 1
            26    1   2 1
            27   21  29 1
            28    1  14 2
            29   23  30 1 #Up
            30    6   7 1
            31   25  31 1 #Up
            32    3  15 2
            33    6  32 1

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