Molecule FYI-1006087

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A

Molecule Summary:

ID: FYI-1006087
Names:
InChIKey: ZOHSBTYPSYCTIC-SUKJIKOTSA-N
SMILES: CC1C(C(=CCCCCCCCCCC#C)C(=O)O1)O

Received at FYIcenter.com on: 2023-11-25

Molecule ID: FYI-1006087 Edit

Molecule Structure InChIKey: ZOHSBTYPSYCTIC-SUKJIKOTSA-N

Molecule Structure SMILES String: CC1C(C(=CCCCCCCCCCC#C)C(=O)O1)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1006087
FYIcenter.com

 46 46  0     1  0  0  0  0  0999 V2000
    4.7208   -5.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4608   -4.1648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9809   -4.1648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9529    0.1139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9529   -0.8861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8189    0.6139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0868   -1.3861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11 17  1  6  0  0  0
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 12 14  2  0  0  0  0
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 13 15  1  0  0  0  0
 13 35  1  0  0  0  0
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 15 18  1  0  0  0  0
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 17 40  1  0  0  0  0
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 18 19  1  0  0  0  0
 18 43  1  0  0  0  0
 18 44  1  0  0  0  0
 19 20  3  0  0  0  0
 20 46  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006087-3D
FYIcenter.com

 46 46  0     1  0  0  0  0  0999 V2000
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    6.0801    1.7116   -1.2093 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0804   -1.9299   -0.7563 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8599    0.4356    0.1250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5521   -0.3325   -0.0825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1063   -0.4504    0.0412 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6596    0.6001    0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4171    0.3279    0.1753 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6891    1.1652    0.0456 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9956   -0.1298   -0.1487 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6731    0.0749    0.4361 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4483    0.3735   -0.1314 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9 31  1  0  0  0  0
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 11 17  1  0  0  0  0
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 13 15  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 18  1  0  0  0  0
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 18 19  1  0  0  0  0
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 19 20  3  0  0  0  0
 20 46  1  0  0  0  0
M  END
$$$$

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2023-12-01, 2286👍, 0💬