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
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
PubChem: 376219011
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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