Molecule FYI-1003522

A

Molecule Summary:

ID: FYI-1003522
Names:
InChIKey: ZBJMJNFORKVCHU-MXNKGDRCSA-N
SMILES: COc4cc3=C[C@H]1[C@](C)(CC[C@H]2C(C)(C)CCC[C@]12C)Oc3cc4=O

Received at FYIcenter.com on: 2023-06-27

Molecule ID: FYI-1003522 Edit

Molecule Structure InChIKey: ZBJMJNFORKVCHU-MXNKGDRCSA-N

Molecule Structure SMILES String: COc4cc3=C[C@H]1[C@](C)(CC[C@H]2C(C)(C)CCC[C@]12C)Oc3cc4=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1003522
FYIcenter.com

 25 28  0  0  1  0  0  0  0  0999 V2000
   12.3120    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6747    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2498    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6747    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8871    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6125    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6125    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7001    2.2876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 23 22  1  0  0  0  0
 23 17  1  0  0  0  0
 24 23  1  0  0  0  0
 25 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003522-3D
FYIcenter.com

 55 58  0     1  0  0  0  0  0999 V2000
   -0.5579    1.6540    0.4520 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2740   -1.3224   -0.3691 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0948    0.7935    1.4513 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6891   -0.5708   -0.2240 C   0  0  1  0  0  0  0  0  0  0  0  0
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    0.6593    0.2217   -1.1409 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2533   -0.3402    0.5225 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3353    1.6742   -0.6793 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5731    1.6626    0.6263 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1103   -1.8788   -0.9524 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5996    2.4484   -0.2477 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  8  1  0  0  0  0
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  7 12  1  0  0  0  0
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 25 55  1  0  0  0  0
M  END
$$$$

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2023-07-05, 446👍, 0💬