Molecule FYI-1007892

A

Molecule Summary:

ID: FYI-1007892
Names:
InChIKey: JFFJLLMOXVVQDY-KQFKSMRPSA-N
SMILES: CCCC(O)/C=C/CCCC(O)C(C)C(O)C[C@H](O)C[C@H](O)CC(O)CC(=O)C(C)[C@H](O)C(C)C(O)/C=C/C=C/CC/C=C/C=C/C=C/C=C/C(=O)O

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

Molecule ID: FYI-1007892 Edit

Molecule Structure InChIKey: JFFJLLMOXVVQDY-KQFKSMRPSA-N

Molecule Structure SMILES String: CCCC(O)/C=C/CCCC(O)C(C)C(O)C[C@H](O)C[C@H](O)CC(O)CC(=O)C(C)[C@H](O)C(C)C(O)/C=C/C=C/CC/C=C/C=C/C=C/C=C/C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1007892
FYIcenter.com

 53 52  0  0  1  0  0  0  0  0999 V2000
   44.8601    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   41.2229    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  2  0  0  0  0
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  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
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 23 21  1  0  0  0  0
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 25 23  1  0  0  0  0
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 27 26  1  0  0  0  0
 28 26  1  0  0  0  0
 29 28  1  0  0  0  0
 29 30  1  6  0  0  0
 31 29  1  0  0  0  0
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 32 33  1  6  0  0  0
 34 32  1  0  0  0  0
 35 34  1  0  0  0  0
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 37 35  1  0  0  0  0
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  1 51  1  0  0  0  0
 51 52  1  0  0  0  0
 51 53  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007892-3D
FYIcenter.com

121120  0  0  1  0  0  0  0  0999 V2000
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   39.7262    3.0266   14.6347 H   0  0  0  0  0  0  0  0  0  0  0  0
   41.8936    4.1494   12.6992 H   0  0  0  0  0  0  0  0  0  0  0  0
   42.0026    2.1898   15.0649 H   0  0  0  0  0  0  0  0  0  0  0  0
   44.1230    3.3570   13.0994 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2024-04-14, 142👍, 0💬