KEGG   COMPOUND: C20704
Entry
C20704                      Compound                               
Name
(8E,10S,12Z,15Z)-10-Hydroperoxyoctadeca-8,12,15-trienoate
Formula
C18H30O4
Exact mass
310.2144
Mol weight
310.43
Structure
Reaction
Enzyme
Other DBs
PubChem: 254741173
LinkDB
KCF data

ATOM        22
            1   O6a O    10.0100  -16.7300
            2   C6a C    11.2000  -16.0300
            3   C1b C    12.4600  -16.7300
            4   C1b C    13.6500  -16.0300
            5   C1b C    14.8400  -16.7300
            6   C1b C    16.1000  -16.0300
            7   C1b C    17.2900  -16.7300
            8   C1b C    18.4800  -16.0300
            9   C2b C    19.7400  -16.7300
            10  C2b C    20.9300  -16.0300
            11  C1c C    22.1200  -16.7300
            12  C1b C    23.4500  -16.0300
            13  O6a O    11.2000  -14.6300
            14  O2a O    22.1200  -18.1300
            15  O1a O    23.3800  -18.8300
            16  C2b C    24.5700  -16.8000
            17  C2b C    25.9700  -16.8000
            18  C1b C    27.2300  -16.1000
            19  C2b C    28.4200  -16.8000
            20  C2b C    29.8200  -16.8000
            21  C1b C    31.0324  -16.1000
            22  C1a C    32.2279  -16.7904
BOND        21
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 2
            10   10  11 1
            11   11  12 1
            12    2  13 2
            13   11  14 1 #Down
            14   14  15 1
            15   12  16 1
            16   16  17 2
            17   17  18 1
            18   18  19 1
            19   19  20 2
            20   20  21 1
            21   21  22 1

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