Molecule FYI-1013901

A

Molecule Summary:

ID: FYI-1013901
Names:
InChIKey: FJQFRDAWQRBFCG-IRUSZSJRSA-N
SMILES: C[C@H]2C=C1C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)O)[C@H]1[C@@H](O)C2

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

Molecule ID: FYI-1013901 Edit

Molecule Structure InChIKey: FJQFRDAWQRBFCG-IRUSZSJRSA-N

Molecule Structure SMILES String: C[C@H]2C=C1C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)O)[C@H]1[C@@H](O)C2

Download SDF Download SVG Structure in 2D SDF:

FYI-1013901
FYIcenter.com

 24 25  0  0  1  0  0  0  0  0999 V2000
    9.6995    0.0000    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
   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
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.7000    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
    7.2747    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6000    0.0000 O   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
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    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
  2  1  1  6  0  0  0
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 22 23  1  6  0  0  0
 24 22  1  0  0  0  0
 24  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013901-3D
FYIcenter.com

 54 55  0     1  0  0  0  0  0999 V2000
    3.1471   -1.9038   -0.1143 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4349   -3.4350   -0.7460 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5689   -0.5331   -1.1676 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5277    1.0976    1.6607 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9504    2.0738    0.3477 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2038    0.2874    0.4009 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1141    0.0821   -0.6933 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7746   -1.0392    0.9541 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5601    1.4458   -1.2003 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3081    1.2120   -0.1031 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5940    1.0702    0.2663 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6811    2.4070   -1.5000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9503   -1.1773   -1.4060 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0949   -0.9009    0.4751 C   0  0  0  0  0  0  0  0  0  0  0  0
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 23 52  1  0  0  0  0
M  END
$$$$

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2025-02-16, 1194👍, 0💬