KEGG   COMPOUND: C20356
Entry
C20356                      Compound                               
Name
Isooctadecanoic acid;
Isostearic acid
Formula
C18H36O2
Exact mass
284.2715
Mol weight
284.4772
Structure
Other DBs
CAS: 2724-58-5
PubChem: 163312094
LinkDB
KCF data

ATOM        20
            1   O6a O     2.3800  -14.6300
            2   C6a C     3.5924  -13.9300
            3   C1b C     4.8049  -14.6300
            4   C1b C     6.0173  -13.9300
            5   C1b C     7.2297  -14.6300
            6   C1b C     8.4422  -13.9300
            7   C1b C     9.6546  -14.6300
            8   C1b C    10.8670  -13.9300
            9   C1b C    12.0795  -14.6300
            10  C1b C    13.2919  -13.9300
            11  C1b C    14.5044  -14.6300
            12  C1b C    15.7168  -13.9300
            13  C1b C    16.9292  -14.6300
            14  C1b C    18.1417  -13.9300
            15  C1b C    19.3541  -14.6300
            16  C1b C    20.5665  -13.9300
            17  C1c C    21.7790  -14.6300
            18  O6a O     3.5924  -12.5302
            19  C1a C    22.9847  -13.9339
            20  C1a C    21.7790  -16.0300
BOND        19
            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 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17    2  18 2
            18   17  19 1
            19   17  20 1

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