KEGG   COMPOUND: C19621
Entry
C19621                      Compound                               

Name
9,10,18-Trihydroxystearate
Formula
C18H36O5
Exact mass
332.2563
Mol weight
332.4754
Structure
Reaction
Pathway
map00073  Cutin, suberine and wax biosynthesis
Enzyme
1.14.-.-        3.3.2.-
Other DBs
PubChem: 135626109
ChEBI: 133325
KNApSAcK: C00034431
KCF data

ATOM        23
            1   C1b C    18.5500  -24.6400
            2   C1b C    19.7400  -25.4100
            3   C1b C    17.3600  -25.4100
            4   C1c C    21.0000  -24.6400
            5   C1b C    16.1000  -24.6400
            6   C1c C    22.4000  -24.6400
            7   C1b C    14.9100  -25.4100
            8   C1b C    23.5900  -25.4100
            9   C1b C    13.7200  -24.6400
            10  C1b C    24.7800  -24.6400
            11  C1b C    12.5300  -25.4100
            12  C1b C    26.0400  -25.4100
            13  C6a C    11.2700  -24.6400
            14  C1b C    27.2300  -24.6400
            15  O6a O    10.0800  -25.4100
            16  O6a O    11.2700  -23.2400
            17  C1b C    28.4200  -25.4100
            18  C1b C    29.6100  -24.6400
            19  C1b C    30.8700  -25.4100
            20  C1b C    32.0600  -24.6400
            21  O1a O    21.0000  -23.2400
            22  O1a O    22.4000  -23.2400
            23  O1a O    33.3064  -25.2776
BOND        22
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     4   6 1
            6     5   7 1
            7     6   8 1
            8     7   9 1
            9     8  10 1
            10    9  11 1
            11   10  12 1
            12   11  13 1
            13   12  14 1
            14   13  15 1
            15   13  16 2
            16   14  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20    4  21 1
            21    6  22 1
            22   20  23 1

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