KEGG   COMPOUND: C05810Help
Entry
C05810                      Compound                               

Name
2-Octaprenylphenol
Formula
C46H70O
Exact mass
638.5427
Mol weight
639.0474
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Ubiquinone and other terpenoid-quinone biosynthesis
Biosynthesis of secondary metabolites
Enzyme
1.14.13.-       4.1.1.98
Other DBs
CAS: 
42187-47-3
PubChem: 
ChEBI: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        47
            1   C1b C    12.8734  -17.8808
            2   C2b C    14.0961  -17.1830
            3   C2c C    15.3188  -17.8808
            4   C1a C    16.5416  -17.1830
            5   C1a C    15.3188  -19.2905
            6   C1b C     7.9958  -17.8808
            7   C2b C     9.2185  -17.1830
            8   C2c C    10.4341  -17.8808
            9   C1b C    11.6499  -17.1830
            10  C1a C    10.4341  -19.2905
            11  C8y C     6.7759  -17.1903
            12  C8y C     5.6093  -17.8786
            13  C8x C     6.7759  -15.8312
            14  C8x C     4.4181  -17.1903
            15  O1a O     5.6093  -19.2379
            16  C8x C     5.6093  -15.1545
            17  C8x C     4.4181  -15.8312
            18  C1b C     7.9958  -17.8808
            19  C2b C     9.2185  -17.1830
            20  C2c C    10.4341  -17.8808
            21  C1b C    11.6499  -17.1830
            22  C1a C    10.4341  -19.2905
            23  C1b C     7.9958  -17.8808
            24  C2b C     9.2185  -17.1830
            25  C2c C    10.4341  -17.8808
            26  C1b C    11.6499  -17.1830
            27  C1a C    10.4341  -19.2905
            28  C1b C     7.9958  -17.8808
            29  C2b C     9.2185  -17.1830
            30  C2c C    10.4341  -17.8808
            31  C1b C    11.6499  -17.1830
            32  C1a C    10.4341  -19.2905
            33  C1b C     7.9958  -17.8808
            34  C2b C     9.2185  -17.1830
            35  C2c C    10.4341  -17.8808
            36  C1b C    11.6499  -17.1830
            37  C1a C    10.4341  -19.2905
            38  C1b C     7.9958  -17.8808
            39  C2b C     9.2185  -17.1830
            40  C2c C    10.4341  -17.8808
            41  C1b C    11.6499  -17.1830
            42  C1a C    10.4341  -19.2905
            43  C1b C     7.9958  -17.8808
            44  C2b C     9.2185  -17.1830
            45  C2c C    10.4341  -17.8808
            46  C1b C    11.6499  -17.1830
            47  C1a C    10.4341  -19.2905
BOND        47
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     3   5 1
            5    11  12 2
            6    11  13 1
            7    12  14 1
            8    12  15 1
            9    13  16 2
            10   14  17 2
            11   16  17 1
            12    6   7 1
            13    7   8 2
            14    8   9 1
            15    8  10 1
            16    9   1 1
            17   18  19 1
            18   19  20 2
            19   20  21 1
            20   20  22 1
            21    6  21 1
            22   23  24 1
            23   24  25 2
            24   25  26 1
            25   25  27 1
            26   18  26 1
            27   28  29 1
            28   29  30 2
            29   30  31 1
            30   30  32 1
            31   23  31 1
            32   33  34 1
            33   34  35 2
            34   35  36 1
            35   35  37 1
            36   28  36 1
            37   38  39 1
            38   39  40 2
            39   40  41 1
            40   40  42 1
            41   33  41 1
            42   43  44 1
            43   44  45 2
            44   45  46 1
            45   45  47 1
            46   38  46 1
            47   43  11 1
BRACKET     1     7.9100  -18.7600    7.9100  -16.8000
            1    11.7600  -16.8000   11.7600  -18.7600
            1  7
 ORIGINAL  1    6   7   8   9  10
 REPEAT    1   18  19  20  21  22  23  24  25  26  27  28  29  30  31  32  33
            1   34  35  36  37  38  39  40  41  42  43  44  45  46  47

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