Molecule FYI-1001999

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A

Molecule Summary:

ID: FYI-1001999
SMILES: CCCCC/C=C\\C/C=C\\CCCCCCCCC1(OC(CO1)CCN(C)C)CCCCCCCC/C=C\\C/C=C\\CCCCC

Received at FYIcenter.com on: 2023-01-13

Molecule ID: FYI-1001999 Edit

Molecule Structure SMILES String: CCCCC/C=CC/C=CCCCCCCCCC1(OC(CO1)CCN(C)C)CCCCCCCC/C=CC/C=CCCCCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1001999
FYIcenter.com

 46 46  0  0  0  0  0  0  0  0999 V2000
   16.3457    5.0722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5581    5.7722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5581    7.1722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7706    7.8722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7706    9.2722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9830    9.9722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9830   11.3722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7706   12.0722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7706   13.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5581   14.1722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3457   13.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1333   14.1722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9209   13.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7083   14.1722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4959   13.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2835   14.1722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0711   13.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8586   14.1722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6462   13.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3673   14.0415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4304   13.0012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7470   11.3116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9212   10.5491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8480    9.1511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0220    8.3885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9488    6.9905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1506    2.6694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9032    2.0338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8298    0.6356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5824    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4084    0.7626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1608    0.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9868    0.8894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7394    0.2538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5652    1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 23 19  1  0  0  0  0
 24 21  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 26  1  0  0  0  0
 29 19  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
 35 34  1  0  0  0  0
 36 35  1  0  0  0  0
 37 36  1  0  0  0  0
 38 37  2  0  0  0  0
 39 38  1  0  0  0  0
 40 39  1  0  0  0  0
 41 40  2  0  0  0  0
 42 41  1  0  0  0  0
 43 42  1  0  0  0  0
 44 43  1  0  0  0  0
 45 44  1  0  0  0  0
 46 45  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001999-3D
FYIcenter.com

125125  0  0  1  0  0  0  0  0999 V2000
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   11.7684  -10.2377    4.5459 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3153   -9.3332    5.6488 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4300   -7.8901    5.1644 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9778   -6.9999    6.2743 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0930   -5.5766    5.8134 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2761   -4.9391    5.7907 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3999   -3.5218    5.3262 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9421   -2.6478    6.4000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0887   -1.9619    6.2789 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6128   -1.0731    7.3478 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7242    0.3515    6.8487 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2577    1.2553    7.9562 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3696    2.6849    7.4555 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9037    3.5810    8.5565 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0085    5.0129    8.0580 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.3729    8.2519   10.9554 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8478    9.5766   11.0415 C   0  0  3  0  0  0  0  0  0  0  0  0
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   23.8517    7.2051    8.3015 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2224    6.6929    8.6846 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1424    6.7055    7.4764 C   0  0  0  0  0  0  0  0  0  0  0  0
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   31.5855    2.6794    7.4199 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-02-05, 2266👍, 0💬