Molecule FYI-1014777

A

Molecule Summary:

ID: FYI-1014777
Names:
InChIKey: UEFNZITZGVWLFK-VOTSOKGWSA-N
SMILES: CCCC/C=C/CCCCCCCCCCCCCc1c(O)c(=O)c(C)c(O)c1=O

Received at FYIcenter.com on: 2025-05-22

Molecule ID: FYI-1014777 Edit

Molecule Structure InChIKey: UEFNZITZGVWLFK-VOTSOKGWSA-N

Molecule Structure SMILES String: CCCC/C=C/CCCCCCCCCCCCCc1c(O)c(=O)c(C)c(O)c1=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1014777
FYIcenter.com

 30 30  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    1.4000    0.0000 C   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
   19.3990    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4611    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  6  7  2  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014777-3D
FYIcenter.com

 72 72  0  0  0  0  0  0  0  0999 V2000
    1.4052    0.4325   -0.8487 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9237    0.4215   -0.8583 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4617   -0.9695   -1.1804 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9883   -0.9732   -1.1925 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5040   -2.3448   -1.4986 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2572   -3.0542   -0.6487 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7687   -4.4226   -0.9620 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2911   -4.4214   -0.9747 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8144   -5.8113   -1.3007 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3341   -5.8154   -1.3075 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8501   -7.2065   -1.6335 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3684   -7.2130   -1.6378 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8755   -8.6062   -1.9633 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3934   -8.6257   -1.9705 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8870  -10.0256   -2.2968 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4047  -10.0578   -2.2960 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9100  -11.4594   -2.6047 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4316  -11.4763   -2.5601 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9762  -12.8466   -2.9438 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4823  -12.8327   -2.9733 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2360  -12.5266   -4.0438 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7308  -12.1166   -5.2624 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.7737   -7.9111   -2.7108 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  2  3  1  0  0  0  0
  2 34  1  0  0  0  0
  2 35  1  0  0  0  0
  3  4  1  0  0  0  0
  3 36  1  0  0  0  0
  3 37  1  0  0  0  0
  4  5  1  0  0  0  0
  4 38  1  0  0  0  0
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  6  7  1  0  0  0  0
  6 41  1  0  0  0  0
  7  8  1  0  0  0  0
  7 42  1  0  0  0  0
  7 43  1  0  0  0  0
  8  9  1  0  0  0  0
  8 44  1  0  0  0  0
  8 45  1  0  0  0  0
  9 10  1  0  0  0  0
  9 46  1  0  0  0  0
  9 47  1  0  0  0  0
 10 11  1  0  0  0  0
 10 48  1  0  0  0  0
 10 49  1  0  0  0  0
 11 12  1  0  0  0  0
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 12 13  1  0  0  0  0
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 13 14  1  0  0  0  0
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 15 16  1  0  0  0  0
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 18 65  1  0  0  0  0
 19 20  1  0  0  0  0
 19 66  1  0  0  0  0
 19 67  1  0  0  0  0
 20 21  2  0  0  0  0
 20 29  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 68  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 69  1  0  0  0  0
 26 70  1  0  0  0  0
 26 71  1  0  0  0  0
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 28 72  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
$$$$

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2025-06-21, 826👍, 0💬