Molecule FYI-1013651

A

Molecule Summary:

ID: FYI-1013651
Names:
InChIKey: UCSLQYARVUZGFU-GLMZGONXSA-N
SMILES: C=C[C@@](C)(/C=C/c1ccc(O)cc1)CC[C@@H](O)C(C)C

Received at FYIcenter.com on: 2025-01-20

Molecule ID: FYI-1013651 Edit

Molecule Structure InChIKey: UCSLQYARVUZGFU-GLMZGONXSA-N

Molecule Structure SMILES String: C=C[C@@](C)(/C=C/c1ccc(O)cc1)CC[C@@H](O)C(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1013651
FYIcenter.com

 20 20  0  0  1  0  0  0  0  0999 V2000
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    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
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0623    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   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
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    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
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  6  5  1  0  0  0  0
  6  7  1  6  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  1  0  0  0  0
 11  3  1  0  0  0  0
 12 11  2  0  0  0  0
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 14 13  2  0  0  0  0
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 18 13  1  0  0  0  0
 19 16  1  0  0  0  0
  3 20  1  1  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013651-3D
FYIcenter.com

 46 46  0  0  1  0  0  0  0  0999 V2000
    1.5158    1.0536    0.0294 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3649    0.0146    0.0318 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0530   -0.6394    1.2344 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6871    0.0807    2.5559 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6606   -2.1191    1.2407 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0498   -2.7906    2.2338 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7226   -4.2223    2.2249 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4845   -5.1716    1.5298 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1662   -6.5316    1.5989 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0906   -6.9444    2.3776 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7504   -8.2600    2.4814 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3312   -6.0230    3.0844 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6494   -4.6658    3.0113 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5982   -0.5292    1.0073 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4456   -1.1913    2.1107 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9595   -1.0573    1.8902 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2890    0.3319    1.8208 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7790   -1.7193    3.0259 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5001   -3.2196    3.1543 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2831   -1.4982    2.8289 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0896    1.4142   -0.9027 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2149    1.5717    0.9329 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5961   -0.4301   -0.9374 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6030    0.1015    2.7206 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3682   -8.7818    1.9438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5029   -6.3570    3.6946 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0471   -3.9561    3.5752 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8678   -0.9881    0.0451 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2321   -1.5030    0.9264 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5108   -1.2383    3.9756 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6803   -3.7376    2.2063 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4681   -3.4135    3.4605 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1449   -3.6724    3.9155 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8511   -1.9593    3.6439 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5317   -0.4324    2.8220 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2 23  1  0  0  0  0
  3  2  1  6  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 14  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  2  0  0  0  0
  5 27  1  0  0  0  0
  6  7  1  0  0  0  0
  6 28  1  0  0  0  0
  7  8  1  0  0  0  0
  7 13  2  0  0  0  0
  8  9  2  0  0  0  0
  8 29  1  0  0  0  0
  9 10  1  0  0  0  0
  9 30  1  0  0  0  0
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 14 35  1  0  0  0  0
 15 16  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 38  1  6  0  0  0
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 18 20  1  0  0  0  0
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 19 43  1  0  0  0  0
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 20 46  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-02-16, 905👍, 0💬