KEGG   COMPOUND: C06495
Entry
C06495                      Compound                               
Name
Compound III(S);
5-(7-(4-(4-Ethyl-4,5-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole
Formula
C22H30N2O3
Exact mass
370.2256
Mol weight
370.4852
Structure
Other DBs
PubChem: 8726
ChEBI: 3845
NIKKAJI: J470.569F
LinkDB
KCF data

ATOM        27
            1   C1b C    20.0465  -19.6226
            2   C8y C    18.8551  -20.3234
            3   O2x O    17.7339  -19.4824
            4   C8x C    18.4347  -21.6549
            5   N5x N    16.6126  -20.3234
            6   C8y C    17.0330  -21.6549
            7   C1a C    16.2622  -22.7762
            8   C2y C    33.3591  -17.4501
            9   C8y C    32.1678  -18.1509
            10  O2x O    33.0087  -16.0485
            11  N2x N    34.7607  -17.4501
            12  C8x C    32.1678  -19.5526
            13  C8x C    30.9764  -17.4501
            14  C1x C    34.1300  -15.2776
            15  C1y C    35.2513  -16.1887
            16  C8x C    30.9764  -20.2534
            17  C8x C    29.7149  -18.1509
            18  C8y C    29.7149  -19.5526
            19  O2a O    28.5236  -20.2534
            20  C1b C    27.3322  -19.5526
            21  C1b C    26.0707  -20.2534
            22  C1b C    24.8793  -19.5526
            23  C1b C    23.6880  -20.2534
            24  C1b C    36.4651  -15.4879
            25  C1a C    37.6790  -16.1887
            26  C1b C    22.4476  -19.5300
            27  C1b C    21.2351  -20.2300
BOND        29
            1     1   2 1
            2     2   3 1
            3     2   4 2
            4     3   5 1
            5     4   6 1
            6     6   7 1
            7     5   6 2
            8     8   9 1
            9     8  10 1
            10    8  11 2
            11    9  12 1
            12    9  13 2
            13   10  14 1
            14   11  15 1
            15   12  16 2
            16   13  17 1
            17   16  18 1
            18   18  19 1
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   22  23 1
            23   14  15 1
            24   17  18 2
            25   15  24 1
            26   24  25 1
            27   23  26 1
            28   26  27 1
            29    1  27 1

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