KEGG   COMPOUND: C19937
Entry
C19937                      Compound                               
Name
(8E,10R,12Z)-10-Hydroperoxy-8,12-octadecadienoate
Formula
C18H32O4
Exact mass
312.2301
Mol weight
312.4443
Structure
Reaction
Pathway
map00591  Linoleic acid metabolism
Enzyme
Other DBs
PubChem: 135626403
LinkDB
KCF data

ATOM        22
            1   C1b C    18.9110  -21.9834
            2   C2b C    20.1241  -22.6777
            3   C1b C    17.6914  -22.6839
            4   C2b C    21.3439  -21.9772
            5   C1b C    16.4781  -21.9897
            6   C1b C    15.2647  -22.6902
            7   C1b C    14.0515  -21.9959
            8   C1b C    12.8320  -22.6964
            9   C6a C    11.6186  -22.0023
            10  O6a O    10.3992  -22.7027
            11  O6a O    11.6123  -20.6076
            12  C1c C    22.5605  -22.6834
            13  C1b C    23.7605  -21.9941
            14  O2a O    22.5573  -24.0799
            15  O1a O    23.7552  -24.7752
            16  C2b C    24.9424  -22.6801
            17  C2b C    26.3424  -22.6801
            18  C1b C    27.6824  -21.9001
            19  C1b C    28.8768  -22.5845
            20  C1b C    30.1000  -21.8725
            21  C1b C    31.3008  -22.5597
            22  C1a C    32.5109  -21.8549
BOND        21
            1     1   2 1
            2     1   3 1
            3     2   4 2
            4     3   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10    9  11 2
            11    4  12 1
            12   12  13 1
            13   12  14 1 #Up
            14   14  15 1
            15   13  16 1
            16   16  17 2
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20   20  21 1
            21   21  22 1

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