KEGG   COMPOUND: C21979
Entry
C21979                      Compound                               
Name
Cyclooctatin;
Cycloctat-9-ene-5,7,18-triol
Formula
C20H34O3
Exact mass
322.2508
Mol weight
322.4822
Structure
Reaction
Pathway
map00997  Biosynthesis of various other secondary metabolites
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00921  Cyclooctatin biosynthesis, dimethylallyl-PP + isopentenyl-PP => cyclooctatin
Enzyme
Other DBs
CAS: 139552-97-9
PubChem: 376219012
LinkDB
KCF data

ATOM        23
            1   C1y C    16.6819  -16.5417
            2   C1y C    15.4903  -17.2426
            3   C1x C    15.7707  -18.6445
            4   C1y C    17.1726  -18.7847
            5   C1y C    17.7333  -17.5230
            6   C1z C    16.6819  -15.1399
            7   C1x C    17.6632  -14.1586
            8   C2x C    19.0650  -14.1586
            9   C2y C    20.1164  -15.1399
            10  C1z C    20.1164  -16.5417
            11  C1x C    19.1351  -17.5230
            12  C1x C    21.4482  -16.9623
            13  C1x C    22.2192  -15.8408
            14  C1y C    21.4482  -14.7193
            15  C1c C    21.8687  -13.3876
            16  C1a C    23.2005  -13.1072
            17  C1a C    20.8874  -12.3362
            18  C1b C    17.8735  -20.0463
            19  C1a C    20.1164  -17.9436
            20  C1a C    15.3502  -14.5791
            21  O1a O    16.6819  -13.7380
            22  O1a O    14.1586  -16.8922
            23  O1a O    17.1735  -21.2588
BOND        25
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     1   6 1
            7     6   7 1
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11    5  11 1
            12   11  10 1
            13   10  12 1
            14   12  13 1
            15   13  14 1
            16    9  14 1
            17   14  15 1 #Down
            18   15  16 1
            19   15  17 1
            20    4  18 1 #Up
            21   10  19 1 #Down
            22    6  20 1 #Up
            23    6  21 1 #Down
            24    2  22 1 #Down
            25   18  23 1

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