Molecule FYI-1012977

A

Molecule Summary:

ID: FYI-1012977
Names:
InChIKey: LUWKSNIQJJWAFJ-UXANRKEVSA-N
SMILES: C=C(CC[C@H]1C(=C)CC[C@@H]2[C@]1(C)CC[C@@H](O)[C@]2(C)C(=O)O)C(=O)CO

Received at FYIcenter.com on: 2024-11-03

Molecule ID: FYI-1012977 Edit

Molecule Structure InChIKey: LUWKSNIQJJWAFJ-UXANRKEVSA-N

Molecule Structure SMILES String: C=C(CC[C@H]1C(=C)CC[C@@H]2[C@]1(C)CC[C@@H](O)[C@]2(C)C(=O)O)C(=O)CO

Download SDF Download SVG Structure in 2D SDF:

FYI-1012977
FYIcenter.com

 25 26  0  0  1  0  0  0  0  0999 V2000
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 24 22  1  0  0  0  0
 25 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012977-3D
FYIcenter.com

 55 56  0     1  0  0  0  0  0999 V2000
   -4.6522   -2.3332   -0.2000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2770    1.1707   -0.6194 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5568    0.7989   -2.0679 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7821    1.1387   -0.3152 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0532    0.3687   -1.4535 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8563   -0.2955   -0.0713 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1082    0.3536    0.6298 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.5069   -0.1878    0.1526 C   0  0  1  0  0  0  0  0  0  0  0  0
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   -0.7350    2.3838    1.3259 C   0  0  0  0  0  0  0  0  0  0  0  0
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 25 54  1  0  0  0  0
M  END
$$$$

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2024-11-23, 1055👍, 0💬