KEGG   COMPOUND: C03313Help
Entry
C03313                      Compound                               

Name
Phylloquinol;
Vitamin K1 hydroquinone;
Phytonadiol
Formula
C31H48O2
Exact mass
452.3654
Mol weight
452.7116
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00130  Ubiquinone and other terpenoid-quinone biosynthesis
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Enzyme
1.6.5.2         2.1.1.329       4.1.1.90
Other DBs
CAS: 572-96-3
PubChem: 6166
ChEBI: 28433
LIPIDMAPS: LMPR02030030
NIKKAJI: J188.437I
LinkDB All DBs
KCF data Show

ATOM        33
            1   C8y C     8.7625  -14.1360
            2   C8y C     8.7625  -15.5433
            3   C8y C     9.9862  -13.4153
            4   C8x C     7.5457  -13.4358
            5   C8y C     9.9998  -16.2502
            6   C8x C     7.5457  -16.2569
            7   C8y C    11.2166  -14.1224
            8   O1a O     9.9795  -12.0216
            9   C8x C     6.3356  -14.1360
            10  C8y C    11.1963  -15.6180
            11  O1a O     9.9931  -17.6439
            12  C8x C     6.3356  -15.5433
            13  C1b C    12.4200  -13.4222
            14  C1a C    12.4336  -16.2433
            15  C2b C    13.6368  -14.1155
            16  C2c C    14.8402  -13.4086
            17  C1b C    16.0502  -14.1019
            18  C1a C    14.8333  -12.0149
            19  C1b C    17.2534  -13.4019
            20  C1b C    18.4635  -14.0952
            21  C1c C    19.6669  -13.3883
            22  C1b C    20.8768  -14.0816
            23  C1a C    19.6600  -11.9946
            24  C1b C    22.0802  -13.3814
            25  C1b C    23.2903  -14.0680
            26  C1c C    24.5003  -13.3678
            27  C1b C    25.7104  -14.0611
            28  C1a C    24.4934  -11.9741
            29  C1b C    26.9136  -13.3610
            30  C1b C    28.1237  -14.0475
            31  C1c C    29.3271  -13.3474
            32  C1a C    30.5372  -14.0408
            33  C1a C    29.3202  -11.9538
BOND        34
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 2
            9     5  10 2
            10    5  11 1
            11    6  12 2
            12    7  13 1
            13   10  14 1
            14   13  15 1
            15   15  16 2
            16   16  17 1
            17   16  18 1
            18   17  19 1
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   21  23 1 #Down
            23   22  24 1
            24   24  25 1
            25   25  26 1
            26   26  27 1
            27   26  28 1 #Down
            28   27  29 1
            29   29  30 1
            30   30  31 1
            31   31  32 1
            32   31  33 1
            33    7  10 1
            34    9  12 1

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