KEGG   COMPOUND: C12103
Entry
C12103                      Compound                               

Name
omega-Cycloheptylundecanoic acid
Formula
C18H34O2
Exact mass
282.2559
Mol weight
282.4614
Structure
Other DBs
PubChem: 14250
ChEBI: 29735
KNApSAcK: C00000345
NIKKAJI: J764.122B
KCF data

ATOM        20
            1   C6a C    35.5573  -18.7394
            2   C1b C    34.3458  -19.4408
            3   C1b C    33.1343  -18.7394
            4   C1b C    31.9228  -19.4408
            5   C1b C    30.7113  -18.7394
            6   C1b C    29.4998  -19.4408
            7   C1b C    28.2883  -18.7394
            8   C1b C    27.0769  -19.4408
            9   C1b C    25.8654  -18.7394
            10  C1b C    24.6539  -19.4408
            11  C1b C    23.4424  -18.7394
            12  C1y C    22.2309  -19.4408
            13  O6a O    36.7730  -19.4393
            14  O6a O    35.5556  -17.3366
            15  C1x C    22.2684  -20.8286
            16  C1x C    21.3131  -21.7864
            17  C1x C    21.0732  -18.6513
            18  C1x C    19.9295  -21.5880
            19  C1x C    19.7347  -19.0695
            20  C1x C    19.2307  -20.3773
BOND        20
            1    10  11 1
            2     5   6 1
            3    11  12 1
            4     1   2 1
            5     1  13 1
            6     6   7 1
            7     1  14 2
            8     3   4 1
            9    12  15 1
            10    7   8 1
            11   15  16 1
            12   12  17 1
            13    8   9 1
            14   16  18 1
            15    4   5 1
            16   17  19 1
            17    9  10 1
            18   18  20 1
            19   19  20 1
            20    2   3 1

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