KEGG   COMPOUND: C05811
Entry
C05811                      Compound                               
Name
2-Octaprenyl-6-hydroxyphenol;
3-Octaprenylcatechol
Formula
C46H70O2
Exact mass
654.5376
Mol weight
655.0468
Structure
Reaction
Enzyme
Other DBs
PubChem: 8106
ChEBI: 1233
3DMET: B00850
NIKKAJI: J2.759.759I
LinkDB
KCF data

ATOM        48
            1   C1b C    28.1853  -17.8626
            2   C2b C    29.4650  -17.2138
            3   C2c C    30.7517  -17.8626
            4   C1a C    32.0312  -17.2138
            5   C1a C    30.7517  -19.1671
            6   C1b C    23.0592  -17.8626
            7   C2b C    24.3458  -17.2138
            8   C2c C    25.6183  -17.8626
            9   C1b C    26.9051  -17.2138
            10  C1a C    25.6183  -19.1671
            11  C8y C    21.7747  -17.2280
            12  C8y C    20.6216  -17.9109
            13  C8x C    21.7747  -15.8825
            14  C8y C    19.4510  -17.2280
            15  O1a O    20.6216  -19.2564
            16  C8x C    20.6216  -15.2138
            17  C8x C    19.4510  -15.8825
            18  O1a O    18.2515  -17.9225
            19  C1b C    23.0592  -17.8626
            20  C2b C    24.3458  -17.2138
            21  C2c C    25.6183  -17.8626
            22  C1b C    26.9051  -17.2138
            23  C1a C    25.6183  -19.1671
            24  C1b C    23.0592  -17.8626
            25  C2b C    24.3458  -17.2138
            26  C2c C    25.6183  -17.8626
            27  C1b C    26.9051  -17.2138
            28  C1a C    25.6183  -19.1671
            29  C1b C    23.0592  -17.8626
            30  C2b C    24.3458  -17.2138
            31  C2c C    25.6183  -17.8626
            32  C1b C    26.9051  -17.2138
            33  C1a C    25.6183  -19.1671
            34  C1b C    23.0592  -17.8626
            35  C2b C    24.3458  -17.2138
            36  C2c C    25.6183  -17.8626
            37  C1b C    26.9051  -17.2138
            38  C1a C    25.6183  -19.1671
            39  C1b C    23.0592  -17.8626
            40  C2b C    24.3458  -17.2138
            41  C2c C    25.6183  -17.8626
            42  C1b C    26.9051  -17.2138
            43  C1a C    25.6183  -19.1671
            44  C1b C    23.0592  -17.8626
            45  C2b C    24.3458  -17.2138
            46  C2c C    25.6183  -17.8626
            47  C1b C    26.9051  -17.2138
            48  C1a C    25.6183  -19.1671
BOND        48
            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   14  18 1
            12   16  17 1
            13    9   1 1
            14    6   7 1
            15    7   8 2
            16    8   9 1
            17    8  10 1
            18    6  22 1
            19   19  20 1
            20   20  21 2
            21   21  22 1
            22   21  23 1
            23   19  27 1
            24   24  25 1
            25   25  26 2
            26   26  27 1
            27   26  28 1
            28   24  32 1
            29   29  30 1
            30   30  31 2
            31   31  32 1
            32   31  33 1
            33   29  37 1
            34   34  35 1
            35   35  36 2
            36   36  37 1
            37   36  38 1
            38   34  42 1
            39   39  40 1
            40   40  41 2
            41   41  42 1
            42   41  43 1
            43   39  47 1
            44   44  45 1
            45   45  46 2
            46   46  47 1
            47   46  48 1
            48   44  11 1
BRACKET     1    22.7500  -18.6200   22.7500  -16.9400
            1    27.1600  -17.0100   27.1600  -18.6900
            1  7
 ORIGINAL  1    6   7   8   9  10
 REPEAT    1   19  20  21  22  23  24  25  26  27  28  29  30  31  32  33  34
            1   35  36  37  38  39  40  41  42  43  44  45  46  47  48

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