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
map00999  Biosynthesis of various secondary metabolites - part 1
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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