Molecule FYI-1013900

A

Molecule Summary:

ID: FYI-1013900
Names:
InChIKey: ZDFOBOYQVYMVCW-IRUSZSJRSA-N
SMILES: C[C@H]3C=C2C=C[C@H](C)[C@H](CC[C@@H]1C[C@@H](O)CC(=O)O1)[C@H]2[C@@H](O)C3

Received at FYIcenter.com on: 2025-02-10

Molecule ID: FYI-1013900 Edit

Molecule Structure InChIKey: ZDFOBOYQVYMVCW-IRUSZSJRSA-N

Molecule Structure SMILES String: C[C@H]3C=C2C=C[C@H](C)[C@H](CC[C@@H]1C[C@@H](O)CC(=O)O1)[C@H]2[C@@H](O)C3

Download SDF Download SVG Structure in 2D SDF:

FYI-1013900
FYIcenter.com

 23 25  0  0  1  0  0  0  0  0999 V2000
   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    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    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
    6.0622    3.5000    0.0000 C   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
    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
    0.0000    4.2000    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
    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
    3.6373    2.1000    0.0000 O   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
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 O   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
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 20  9  1  0  0  0  0
 20  4  1  6  0  0  0
 21 20  1  0  0  0  0
 21 22  1  6  0  0  0
 23 21  1  0  0  0  0
 23  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013900-3D
FYIcenter.com

 51 53  0     1  0  0  0  0  0999 V2000
   -2.2437    1.9953   -0.8304 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0949   -0.0455    0.7696 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1884    1.9074   -1.0615 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5158    0.0754    2.5101 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9715   -0.5769   -0.4090 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1663   -0.0770    0.4564 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2972    1.4636    0.4895 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8735   -2.1305   -0.3916 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3592    0.0781   -0.0223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4665   -0.7460    0.0203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5909    1.8961    1.1855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8570    1.2954    0.5504 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4752   -0.3527   -0.9645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6547   -0.1169    0.0687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2219   -2.7599   -0.6292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3831   -2.1157   -0.4544 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7925    0.3173   -0.5954 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2682   -2.7158    0.8883 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9011   -0.0814   -1.5583 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2208    0.4829   -1.0661 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5070   -0.0083    0.3396 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9955    2.1983   -1.9692 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
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 22 50  1  0  0  0  0
M  END
$$$$

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