KEGG   COMPOUND: C21084
Entry
C21084                      Compound                               
Name
Demethylphylloquinol
Formula
C30H46O2
Exact mass
438.3498
Mol weight
438.68
Structure
Reaction
R04994 R11061
Pathway
map00130  Ubiquinone and other terpenoid-quinone biosynthesis
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
map01240  Biosynthesis of cofactors
Module
M00932  Phylloquinone biosynthesis, chorismate (+ phytyl-PP) => phylloquinol
Enzyme
1.6.5.12        2.1.1.329
Other DBs
PubChem: 295369346
LinkDB
KCF data

ATOM        32
            1   C8y C     8.9448  -16.8539
            2   C8y C     8.9448  -15.4531
            3   C8y C    10.1782  -17.5602
            4   C8x C     7.7286  -17.5660
            5   C8y C    10.1596  -14.7341
            6   C8x C     7.7286  -14.7644
            7   C8y C    11.3989  -16.8597
            8   O1a O    10.1655  -18.9551
            9   C8x C     6.5253  -16.8539
            10  C8x C    11.3932  -15.4402
            11  O1a O    10.1596  -13.3448
            12  C8x C     6.5253  -15.4531
            13  C1b C    12.6080  -17.5602
            14  C2b C    13.8170  -16.8597
            15  C2c C    15.0273  -17.5543
            16  C1b C    16.2364  -16.8539
            17  C1a C    15.0332  -18.9491
            18  C1b C    17.4455  -17.5543
            19  C1b C    18.6545  -16.8539
            20  C1c C    19.8649  -17.5485
            21  C1b C    21.0738  -16.8410
            22  C1a C    19.8707  -18.9364
            23  C1b C    22.2828  -17.5485
            24  C1b C    23.4919  -16.8410
            25  C1c C    24.6952  -17.5357
            26  C1b C    25.9112  -16.8353
            27  C1a C    24.7079  -18.9364
            28  C1b C    27.1202  -17.5357
            29  C1b C    28.3293  -16.8353
            30  C1c C    29.5324  -17.5297
            31  C1a C    30.7485  -16.8353
            32  C1a C    29.5453  -18.9307
BOND        33
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    5  11 1
            11    6  12 2
            12    7  13 1
            13   13  14 1
            14   14  15 2
            15   15  16 1
            16   15  17 1
            17   16  18 1
            18   18  19 1
            19   19  20 1
            20   20  21 1
            21   20  22 1
            22   21  23 1
            23   23  24 1
            24   24  25 1
            25   25  26 1
            26   25  27 1
            27   26  28 1
            28   28  29 1
            29   29  30 1
            30   30  31 1
            31   30  32 1
            32    7  10 2
            33    9  12 1

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