Molecule FYI-1016094

A

Molecule Summary:

ID: FYI-1016094
Names:
InChIKey: GSVYLEFSSDOSSC-CFVJYBIHSA-N
SMILES: CCC3CC2/C(C)=C/C1OC(=O)C[C@@H](O)CC1/C=C/C(C)=C\\C2C(=O)O3

Received at FYIcenter.com on: 2025-11-15

Molecule ID: FYI-1016094 Edit

Molecule Structure InChIKey: GSVYLEFSSDOSSC-CFVJYBIHSA-N

Molecule Structure SMILES String: CCC3CC2/C(C)=C/C1OC(=O)C[C@@H](O)CC1/C=C/C(C)=C\C2C(=O)O3

Download SDF Download SVG Structure in 2D SDF:

FYI-1016094
FYIcenter.com

 26 28  0  0  0  0  0  0  0  0999 V2000
    3.6373    5.1967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.2967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.5967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.1967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.4967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.3967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2162    3.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1685    2.0861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5645    2.1907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9405    4.6853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4210    1.0832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7389    1.5555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6970    2.9549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8591    0.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2140    1.0680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7835    2.3469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1386    3.5895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7650    3.8601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6570    0.7829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9668    5.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9783    4.7097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 11 23  1  0  0  0  0
 14 24  1  0  0  0  0
 21 25  2  0  0  0  0
 19 26  1  1  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016094-3D
FYIcenter.com

 54 56  0  0  1  0  0  0  0  0999 V2000
    2.1189   -1.7349   -0.0740 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4051   -0.2998    0.3470 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8710    0.5726   -0.8234 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.1794    1.9999   -0.3765 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9379    2.9226   -0.3589 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.1575    4.3815    0.1148 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1173    5.4181   -0.2869 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3025    4.7639    0.7173 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9191    6.1517    0.7593 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9434    7.1895    0.7419 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3492    8.2777    1.4317 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2722    8.3695    2.6488 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8289    9.3755    0.5334 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6577    8.9207   -0.6693 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5077   10.0178   -1.0452 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5575    7.6917   -0.4670 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8645    6.3106   -0.4840 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.1222    5.9628   -1.7979 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0955    4.7088   -2.3014 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1296    4.1785   -3.2557 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4822    4.3748   -4.7084 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0166    3.4561   -2.9991 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3189    2.8521   -1.7699 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.9753    1.4098   -2.1204 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0110   -2.2034   -0.5019 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8011    0.1378   -1.2127 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9107    2.3753   -1.0916 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6934    1.9738    0.5886 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7674    3.4070   -5.1397 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4328    3.1865   -3.8880 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3250    3.3133   -1.7178 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1 29  1  0  0  0  0
  2  3  1  0  0  0  0
  2 30  1  0  0  0  0
  2 31  1  0  0  0  0
  3  4  1  0  0  0  0
  3 26  1  0  0  0  0
  3 32  1  0  0  0  0
  4  5  1  0  0  0  0
  4 33  1  0  0  0  0
  4 34  1  0  0  0  0
  5  6  1  0  0  0  0
  5 23  1  0  0  0  0
  5 35  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
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  7 37  1  0  0  0  0
  7 38  1  0  0  0  0
  8  9  1  0  0  0  0
  8 39  1  0  0  0  0
  9 10  1  0  0  0  0
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 14 15  1  0  0  0  0
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 17 18  1  0  0  0  0
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 18 19  2  0  0  0  0
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 23 24  1  0  0  0  0
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 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
M  END
$$$$

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