KEGG   COMPOUND: C21978
Entry
C21978                      Compound                               
Name
Cyclooctat-9-ene-5,7-diol;
(1S,3R,3aS,4R,7S,9aS,10aS)-1,4,9a-Trimethyl-7-(propan-2-yl)-1,2,3,3a,4,5,7,8,9,9a,10,10a-dodecahydrodicyclopenta[a,d][8]annulene-3,4-diol
Formula
C20H34O2
Exact mass
306.2559
Mol weight
306.4828
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
PubChem: 376219011
LinkDB
KCF data

ATOM        22
            1   C1y C    16.0406  -16.5309
            2   C1y C    14.8498  -17.2314
            3   C1x C    15.1300  -18.6323
            4   C1y C    16.5309  -18.7724
            5   C1y C    17.0913  -17.5115
            6   C1z C    16.0406  -15.1300
            7   C1x C    17.0212  -14.1493
            8   C2x C    18.4221  -14.1493
            9   C2y C    19.4728  -15.1300
            10  C1z C    19.4728  -16.5309
            11  C1x C    18.4922  -17.5115
            12  C1x C    20.8037  -16.9512
            13  C1x C    21.5742  -15.8304
            14  C1y C    20.8037  -14.7097
            15  C1c C    21.2240  -13.3788
            16  C1a C    22.5549  -13.0986
            17  C1a C    20.2434  -12.3281
            18  C1a C    17.2314  -20.0332
            19  C1a C    19.4728  -17.9318
            20  C1a C    14.7097  -14.5696
            21  O1a O    16.0406  -13.7291
            22  O1a O    13.4975  -16.8690
BOND        24
            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

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