KEGG   COMPOUND: C19618
Entry
C19618                      Compound                               
Name
Octadec-9-ene-1,18-dioic-acid
Formula
C18H32O4
Exact mass
312.2301
Mol weight
312.4443
Structure
Reaction
Pathway
map00073  Cutin, suberine and wax biosynthesis
Enzyme
1.2.-.-
Other DBs
PubChem: 135626106
ChEBI: 176959
LinkDB
KCF data

ATOM        22
            1   C1b C    17.2799  -16.0916
            2   C1b C    18.4471  -16.8469
            3   C1b C    16.1126  -16.8469
            4   C2b C    19.6830  -16.0916
            5   C1b C    14.8767  -16.0916
            6   C2b C    21.0562  -16.0916
            7   C1b C    13.7095  -16.8469
            8   C1b C    22.2235  -16.8469
            9   C1b C    12.5422  -16.0916
            10  C1b C    23.3907  -16.0916
            11  C1b C    11.3750  -16.8469
            12  C1b C    24.6266  -16.8469
            13  C6a C    10.1391  -16.0916
            14  C1b C    25.7939  -16.0916
            15  O6a O     8.9719  -16.8469
            16  O6a O    10.1391  -14.7184
            17  C1b C    26.9611  -16.8469
            18  C1b C    28.1283  -16.0916
            19  C1b C    29.3642  -16.8469
            20  C6a C    30.5315  -16.0916
            21  O6a O    31.7721  -16.7264
            22  O6a O    30.4609  -14.7012
BOND        21
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     4   6 2
            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   20  21 2
            21   20  22 1

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