KEGG   COMPOUND: C12332
Entry
C12332                      Compound                               
Name
Militarinone D
Formula
C26H31NO4
Exact mass
421.2253
Mol weight
421.5286
Structure
Other DBs
PubChem: 582722
ChEBI: 31853
KNApSAcK: C00041674
NIKKAJI: J1.889.853E
LinkDB
KCF data

ATOM        31
            1   C8y C    21.9420  -19.8550
            2   C8x C    21.9420  -21.2572
            3   N4x N    23.1592  -21.9583
            4   C8y C    24.3694  -21.2572
            5   C8y C    24.3694  -19.8550
            6   C8y C    23.1592  -19.1539
            7   C8y C    20.7325  -19.1604
            8   C8x C    20.7332  -17.7582
            9   C8x C    19.5191  -17.0566
            10  C8y C    18.3044  -17.7570
            11  C8x C    18.3037  -19.1592
            12  C8x C    19.5178  -19.8610
            13  C5a C    25.5749  -19.1539
            14  C2b C    26.7859  -19.8480
            15  C2b C    27.9969  -19.1469
            16  C2b C    29.2079  -19.8409
            17  C2b C    30.4189  -19.1398
            18  C2c C    31.6299  -19.8338
            19  C2b C    32.8409  -19.1327
            20  C1c C    34.0518  -19.8268
            21  C1b C    35.2628  -19.1257
            22  C1c C    36.4738  -19.8197
            23  C1b C    37.6848  -19.1186
            24  C1a C    38.8958  -19.8125
            25  O1a O    17.0905  -17.0552
            26  O5x O    25.5841  -21.9574
            27  O1a O    23.1609  -17.7517
            28  O5a O    25.5703  -17.7517
            29  C1a C    31.6329  -21.2360
            30  C1a C    34.0549  -21.2290
            31  C1a C    36.4769  -21.2218
BOND        32
            1    14  15 2
            2     2   3 1
            3    15  16 1
            4     3   4 1
            5    16  17 2
            6     4   5 1
            7    17  18 1
            8     5   6 2
            9    18  19 2
            10    7   8 2
            11   19  20 1
            12    8   9 1
            13   20  21 1
            14    9  10 2
            15   21  22 1
            16   10  11 1
            17   22  23 1
            18   11  12 2
            19   23  24 1
            20   12   7 1
            21   10  25 1
            22    1   7 1
            23    4  26 2
            24    6   1 1
            25    6  27 1
            26    5  13 1
            27   13  28 2
            28   18  29 1
            29   13  14 1
            30   20  30 1 #Up
            31    1   2 2
            32   22  31 1 #Up

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