KEGG   COMPOUND: C05809Help
Entry
C05809                      Compound                               

Name
3-Octaprenyl-4-hydroxybenzoate;
4-Hydroxy-3-octaprenylbenzoate
Formula
C47H70O3
Exact mass
682.5325
Mol weight
683.0569
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Ubiquinone and other terpenoid-quinone biosynthesis
Biosynthesis of secondary metabolites
Enzyme
2.5.1.39        4.1.1.98
Other DBs
PubChem: 
ChEBI: 
3DMET: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        50
            1   C8x C    22.7500  -16.5900
            2   C8x C    22.7500  -17.9900
            3   C8y C    23.9400  -18.6900
            4   C8y C    25.2000  -17.9900
            5   C8x C    25.2000  -16.5900
            6   C8y C    23.9400  -15.8900
            7   C1b C    26.3900  -18.6900
            8   C2b C    27.6500  -17.9900
            9   C2c C    28.8400  -18.6900
            10  C1b C    30.0300  -17.9900
            11  C1b C    31.2900  -18.6900
            12  C2b C    32.4800  -17.9900
            13  C2c C    33.6700  -18.6900
            14  C1a C    34.9300  -17.9900
            15  O1a O    23.9400  -20.0900
            16  C6a C    23.9400  -14.4900
            17  O6a O    22.7500  -13.7900
            18  O6a O    25.1300  -13.7900
            19  C1a C    28.8400  -20.0900
            20  C1a C    33.6700  -20.0900
            21  C1b C    26.3900  -18.6900
            22  C2b C    27.6500  -17.9900
            23  C2c C    28.8400  -18.6900
            24  C1b C    30.0300  -17.9900
            25  C1a C    28.8400  -20.0900
            26  C1b C    26.3900  -18.6900
            27  C2b C    27.6500  -17.9900
            28  C2c C    28.8400  -18.6900
            29  C1b C    30.0300  -17.9900
            30  C1a C    28.8400  -20.0900
            31  C1b C    26.3900  -18.6900
            32  C2b C    27.6500  -17.9900
            33  C2c C    28.8400  -18.6900
            34  C1b C    30.0300  -17.9900
            35  C1a C    28.8400  -20.0900
            36  C1b C    26.3900  -18.6900
            37  C2b C    27.6500  -17.9900
            38  C2c C    28.8400  -18.6900
            39  C1b C    30.0300  -17.9900
            40  C1a C    28.8400  -20.0900
            41  C1b C    26.3900  -18.6900
            42  C2b C    27.6500  -17.9900
            43  C2c C    28.8400  -18.6900
            44  C1b C    30.0300  -17.9900
            45  C1a C    28.8400  -20.0900
            46  C1b C    26.3900  -18.6900
            47  C2b C    27.6500  -17.9900
            48  C2c C    28.8400  -18.6900
            49  C1b C    30.0300  -17.9900
            50  C1a C    28.8400  -20.0900
BOND        50
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7    11  12 1
            8    12  13 2
            9    13  14 1
            10    3  15 1
            11    6  16 1
            12   16  17 2
            13   16  18 1
            14   13  20 1
            15    4   7 1
            16    7   8 1
            17    8   9 2
            18    9  10 1
            19    9  19 1
            20   10  21 1
            21   21  22 1
            22   22  23 2
            23   23  24 1
            24   23  25 1
            25   24  26 1
            26   26  27 1
            27   27  28 2
            28   28  29 1
            29   28  30 1
            30   29  31 1
            31   31  32 1
            32   32  33 2
            33   33  34 1
            34   33  35 1
            35   34  36 1
            36   36  37 1
            37   37  38 2
            38   38  39 1
            39   38  40 1
            40   39  41 1
            41   41  42 1
            42   42  43 2
            43   43  44 1
            44   43  45 1
            45   44  46 1
            46   46  47 1
            47   47  48 2
            48   48  49 1
            49   48  50 1
            50   49  11 1
BRACKET     1    26.1800  -19.6700   26.1800  -17.7800
            1    30.1000  -17.5700   30.1000  -19.3900
            1  7
 ORIGINAL  1    7   8   9  10  19
 REPEAT    1   21  22  23  24  25  26  27  28  29  30  31  32  33  34  35  36
            1   37  38  39  40  41  42  43  44  45  46  47  48  49  50

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