KEGG   COMPOUND: C20388
Entry
C20388                      Compound                               
Name
12(S)-HHT;
(12S,5Z,8E,10E)-12-Hydroxy-5,8,10-heptadecatrienoic acid
Formula
C17H28O3
Exact mass
280.2038
Mol weight
280.4024
Structure
Other DBs
CAS: 54397-84-1
PubChem: 163312126
LinkDB
KCF data

ATOM        20
            1   C2b C     9.8000  -14.5600
            2   C1b C     9.8000  -15.9600
            3   C2b C    11.0124  -16.6600
            4   C2b C    12.2249  -15.9600
            5   C1b C    12.2249  -14.5600
            6   C2b C    11.0124  -13.8600
            7   C1b C    13.4624  -13.8600
            8   C1b C    14.6749  -14.5600
            9   C6a C    15.8873  -13.8600
            10  O6a O    17.0997  -14.5600
            11  C2b C    13.4624  -16.6600
            12  C2b C    14.6749  -15.9600
            13  C1c C    15.8873  -16.6600
            14  C1b C    17.0997  -15.9600
            15  C1b C    18.3122  -16.6600
            16  C1b C    19.5246  -15.9600
            17  C1b C    20.7370  -16.6600
            18  C1a C    21.9495  -15.9600
            19  O6a O    15.8873  -12.4600
            20  O1a O    15.8873  -18.0600
BOND        19
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     5   6 1
            5     1   6 2
            6     5   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10    4  11 1
            11   11  12 2
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18    9  19 2
            19   13  20 1 #Down

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