Molecule FYI-1007895

A

Molecule Summary:

ID: FYI-1007895
Names:
InChIKey: VGKGSHPUCJWHFI-IAQVKYGWSA-N
SMILES: CCC(=O)/C(C)=C/C=C/C(C)C(O)C(C)CC(C)C(O)C(C)C(=O)CC(=O)O

Received at FYIcenter.com on: 2024-03-20

Molecule ID: FYI-1007895 Edit

Molecule Structure InChIKey: VGKGSHPUCJWHFI-IAQVKYGWSA-N

Molecule Structure SMILES String: CCC(=O)/C(C)=C/C=C/C(C)C(O)C(C)CC(C)C(O)C(C)C(=O)CC(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1007895
FYIcenter.com

 28 27  0  0  0  0  0  0  0  0999 V2000
   16.9741    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.0000    0.0000 O   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
   15.7617    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    0.0000    0.0000 O   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
   13.3368    3.5000    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
   10.9119    2.1000    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
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    0.0000    0.0000 O   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
    0.0000    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 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
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  9  7  1  0  0  0  0
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 23 21  1  0  0  0  0
 24 23  1  0  0  0  0
  1 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007895-3D
FYIcenter.com

 64 63  0  0  1  0  0  0  0  0999 V2000
   -0.2645   -0.0359    6.6200 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2430   -0.1491    6.5796 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9383    1.2081    6.6312 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2978    2.2551    6.7162 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4427    1.2560    6.5886 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0856    2.6137    6.7070 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1483    0.1158    6.4734 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5839    0.0536    6.5384 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2692   -1.0967    6.5201 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7432   -1.1035    6.8507 C   0  0  3  0  0  0  0  0  0  0  0  0
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   10.7162   -0.7501    5.9877 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7687   -5.9123    9.4438 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8139   -4.6237    9.7835 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.5058   -3.2588    9.7979 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8809   -5.1302   11.2330 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 31  1  0  0  0  0
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  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
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  7  8  1  0  0  0  0
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 28 64  1  0  0  0  0
M  END
$$$$

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2024-04-14, 144👍, 0💬