KEGG   COMPOUND: C05814Help
Entry
C05814                      Compound                               

Name
2-Octaprenyl-3-methyl-6-methoxy-1,4-benzoquinone
Formula
C48H72O3
Exact mass
696.5481
Mol weight
697.0835
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Ubiquinone and other terpenoid-quinone biosynthesis
Biosynthesis of secondary metabolites
Enzyme
1.14.13.-       2.1.1.201
Other DBs
PubChem: 
ChEBI: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        51
            1   C1b C    31.7800  -20.3700
            2   C2b C    33.0400  -19.6700
            3   C2c C    34.3000  -20.3700
            4   C1a C    35.6300  -19.6700
            5   C1a C    34.3000  -21.6300
            6   C1b C    26.6700  -20.3700
            7   C2b C    27.9300  -19.6700
            8   C2c C    29.1900  -20.3700
            9   C1b C    30.4500  -19.6700
            10  C1a C    29.1900  -21.6300
            11  C2y C    25.3400  -19.7400
            12  C5x C    24.2200  -20.3700
            13  C2y C    25.3400  -18.3400
            14  C2y C    23.0300  -19.7400
            15  O5x O    24.2200  -21.7000
            16  C5x C    24.2200  -17.7100
            17  C2x C    23.0300  -18.3400
            18  O2a O    21.8400  -20.3700
            19  C1a C    20.6500  -19.6700
            20  O5x O    24.2378  -16.3101
            21  C1a C    26.5485  -17.6332
            22  C1b C    26.6700  -20.3700
            23  C2b C    27.9300  -19.6700
            24  C2c C    29.1900  -20.3700
            25  C1b C    30.4500  -19.6700
            26  C1a C    29.1900  -21.6300
            27  C1b C    26.6700  -20.3700
            28  C2b C    27.9300  -19.6700
            29  C2c C    29.1900  -20.3700
            30  C1b C    30.4500  -19.6700
            31  C1a C    29.1900  -21.6300
            32  C1b C    26.6700  -20.3700
            33  C2b C    27.9300  -19.6700
            34  C2c C    29.1900  -20.3700
            35  C1b C    30.4500  -19.6700
            36  C1a C    29.1900  -21.6300
            37  C1b C    26.6700  -20.3700
            38  C2b C    27.9300  -19.6700
            39  C2c C    29.1900  -20.3700
            40  C1b C    30.4500  -19.6700
            41  C1a C    29.1900  -21.6300
            42  C1b C    26.6700  -20.3700
            43  C2b C    27.9300  -19.6700
            44  C2c C    29.1900  -20.3700
            45  C1b C    30.4500  -19.6700
            46  C1a C    29.1900  -21.6300
            47  C1b C    26.6700  -20.3700
            48  C2b C    27.9300  -19.6700
            49  C2c C    29.1900  -20.3700
            50  C1b C    30.4500  -19.6700
            51  C1a C    29.1900  -21.6300
BOND        51
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     3   5 1
            5    11  12 1
            6    11  13 2
            7    12  14 1
            8    12  15 2
            9    13  16 1
            10   14  17 2
            11   14  18 1
            12   18  19 1
            13   16  17 1
            14   16  20 2
            15   13  21 1
            16    6   7 1
            17    7   8 2
            18    8   9 1
            19    8  10 1
            20    9   1 1
            21   22  23 1
            22   23  24 2
            23   24  25 1
            24   24  26 1
            25    6  25 1
            26   27  28 1
            27   28  29 2
            28   29  30 1
            29   29  31 1
            30   22  30 1
            31   32  33 1
            32   33  34 2
            33   34  35 1
            34   34  36 1
            35   27  35 1
            36   37  38 1
            37   38  39 2
            38   39  40 1
            39   39  41 1
            40   32  40 1
            41   42  43 1
            42   43  44 2
            43   44  45 1
            44   44  46 1
            45   37  45 1
            46   47  48 1
            47   48  49 2
            48   49  50 1
            49   49  51 1
            50   42  50 1
            51   47  11 1
BRACKET     1    26.1800  -21.1400   26.1800  -19.0400
            1    30.8700  -19.1800   30.8700  -21.2800
            1  7
 ORIGINAL  1    6   7   8   9  10
 REPEAT    1   22  23  24  25  26  27  28  29  30  31  32  33  34  35  36  37
            1   38  39  40  41  42  43  44  45  46  47  48  49  50  51

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