Molecule FYI-1015451

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A

Molecule Summary:

ID: FYI-1015451
Names:
InChIKey: LUIGTZGBXWZJAX-UHFFFAOYSA-N
SMILES: C=CCCCCCCCCCCCC(O)CC(CO)OC(C)=O

Received at FYIcenter.com on: 2025-09-02

Molecule ID: FYI-1015451 Edit

Molecule Structure InChIKey: LUIGTZGBXWZJAX-UHFFFAOYSA-N

Molecule Structure SMILES String: C=CCCCCCCCCCCCC(O)CC(CO)OC(C)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1015451
FYIcenter.com

 23 22  0  0  0  0  0  0  0  0999 V2000
   21.8239    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6113    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6113    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
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 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  2  0  0  0  0
 21  7  1  0  0  0  0
 22  5  1  0  0  0  0
 23 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015451-3D
FYIcenter.com

 59 58  0  0  1  0  0  0  0  0999 V2000
    1.4756   -0.5118    1.1604 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2966   -0.0726    0.1981 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0706   -0.9915   -0.6970 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5699   -0.7754   -0.5224 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3498   -1.7126   -1.4387 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8482   -1.5044   -1.2742 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6132   -2.4447   -2.1903 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1117   -2.2359   -2.0325 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8695   -3.1787   -2.9535 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3658   -2.9791   -2.7942 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1249   -3.9241   -3.7122 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6226   -3.7293   -3.5347 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4041   -4.6663   -4.4543 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9051   -4.4545   -4.2827 C   0  0  3  0  0  0  0  0  0  0  0  0
   16.2930   -4.8164   -2.9593 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7483   -5.2934   -5.2375 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.0004   -3.1018   -6.7921 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4253   -5.8311   -7.5000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1151   -7.8994   -8.4057 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0858   -7.6523   -7.1306 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0641   -1.5355   -2.4814 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0958   -2.7562   -1.2060 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1373   -1.6830   -0.2317 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1074   -0.4635   -1.5083 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3221   -2.2682   -3.2341 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4045   -2.4157   -0.9912 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6061   -4.2174   -2.7206 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6563   -3.1585   -1.7504 H   0  0  0  0  0  0  0  0  0  0  0  0
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   18.8569   -7.2184   -8.8373 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.6274   -8.4357   -9.2247 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.6276   -8.6002   -7.7419 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2  3  1  0  0  0  0
  2 26  1  0  0  0  0
  3  4  1  0  0  0  0
  3 27  1  0  0  0  0
  3 28  1  0  0  0  0
  4  5  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  1  0  0  0  0
  5 31  1  0  0  0  0
  5 32  1  0  0  0  0
  6  7  1  0  0  0  0
  6 33  1  0  0  0  0
  6 34  1  0  0  0  0
  7  8  1  0  0  0  0
  7 35  1  0  0  0  0
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  8  9  1  0  0  0  0
  8 37  1  0  0  0  0
  8 38  1  0  0  0  0
  9 10  1  0  0  0  0
  9 39  1  0  0  0  0
  9 40  1  0  0  0  0
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 21 23  2  0  0  0  0
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 22 59  1  0  0  0  0
M  END
$$$$

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2025-11-06, 780👍, 0💬