KEGG   COMPOUND: C20435
Entry
C20435                      Compound                               

Name
3,20-Dimethyl-1,2,21,22-tetradehydro-2,3,20,21-tetrahydrobotryococcene
Formula
C32H54
Exact mass
438.4226
Mol weight
438.7712
Structure
Reaction
Enzyme
Other DBs
PubChem: 163312172
KCF data

ATOM        32
            1   C2c C     9.4500  -16.6600
            2   C1c C    10.6400  -15.9600
            3   C1b C    11.9000  -16.6600
            4   C1b C    13.0900  -15.9600
            5   C2c C    14.2800  -16.6600
            6   C2b C    15.4700  -15.9600
            7   C1a C     8.2600  -15.9600
            8   C2a C     9.4500  -18.0600
            9   C1a C    14.2800  -18.0600
            10  C1b C    16.8000  -16.6600
            11  C1b C    18.0600  -15.9600
            12  C1d C    19.2500  -16.6600
            13  C2b C    20.4400  -15.9600
            14  C2b C    21.7000  -16.6600
            15  C1c C    22.8900  -15.9600
            16  C1b C    24.0800  -16.6600
            17  C1b C    25.3400  -15.9600
            18  C2b C    26.5300  -16.6600
            19  C2c C    27.7200  -15.9600
            20  C1b C    28.9100  -16.6600
            21  C1b C    30.1700  -15.9600
            22  C1c C    31.3600  -16.6600
            23  C2c C    32.5500  -15.9600
            24  C1a C    33.7400  -16.6600
            25  C2a C    32.5500  -14.5600
            26  C1a C    22.8900  -14.5600
            27  C1a C    27.7200  -14.5600
            28  C1a C    20.2300  -17.6400
            29  C2b C    18.2700  -17.6400
            30  C2a C    18.6200  -18.9700
            31  C1a C    10.6400  -14.5600
            32  C1a C    31.3600  -18.0600
BOND        31
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 2
            6     1   7 1
            7     1   8 2
            8     5   9 1
            9    10  11 1
            10   11  12 1
            11   12  13 1
            12   13  14 2
            13   14  15 1
            14   15  16 1
            15   16  17 1
            16   17  18 1
            17   18  19 2
            18   19  20 1
            19   20  21 1
            20   21  22 1
            21   22  23 1
            22   23  24 1
            23   23  25 2
            24   15  26 1 #Down
            25   19  27 1
            26   12  28 1
            27   12  29 1
            28   29  30 2
            29    6  10 1
            30    2  31 1
            31   22  32 1

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