KEGG   COMPOUND: C21331
Entry
C21331                      Compound                               

Name
Aurachin C epoxide;
2-Hydroxy-1a-methyl-7a-[(2E,6E)-farnesyl]-1a,2-dihydrooxireno[2,3-b]quinolin-7(7aH)-one
Formula
C25H33NO3
Exact mass
395.246
Mol weight
395.5344
Structure
Reaction
Enzyme
Other DBs
PubChem: 319075055
KCF data

ATOM        29
            1   C8x C     8.9560  -15.4630
            2   C8x C     8.9560  -16.8624
            3   C8x C    10.2154  -17.5621
            4   C8y C    11.4048  -16.8624
            5   C8y C    11.4048  -15.4630
            6   C8x C    10.2154  -14.7633
            7   N1y N    12.5943  -17.5621
            8   C1z C    13.8537  -16.8624
            9   C1z C    13.8537  -15.4630
            10  C5x C    12.5943  -14.7633
            11  O5x O    12.5943  -13.3640
            12  O1b O    12.5943  -18.9614
            13  C1a C    15.0432  -17.5621
            14  C1b C    15.0432  -14.7633
            15  C2b C    16.2327  -15.4630
            16  C2c C    17.4221  -14.7633
            17  C1b C    18.6816  -15.4630
            18  C1b C    19.8710  -14.7633
            19  C2b C    21.0606  -15.4630
            20  C2c C    22.3200  -14.7633
            21  C1b C    23.5095  -15.4630
            22  C1b C    24.6989  -14.7633
            23  C2b C    25.9584  -15.4630
            24  C1a C    17.4221  -13.3640
            25  C1a C    22.3200  -13.3640
            26  C2c C    27.1478  -14.7633
            27  C1a C    28.3373  -15.4630
            28  C1a C    27.1478  -13.3640
            29  O2x O    15.0662  -16.1630
BOND        31
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12   10  11 2
            13    7  12 1
            14    8  13 1
            15    9  14 1
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   19  20 2
            22   20  21 1
            23   21  22 1
            24   22  23 1
            25   16  24 1
            26   20  25 1
            27   23  26 2
            28   26  27 1
            29   26  28 1
            30    9  29 1
            31   29   8 1

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