Molecule Editor

Molecule ID: FYI-1008225 Edit

Molecule Structure InChIKey: PCYYBYDVDHNAGM-VMPITWQZSA-N

Molecule Structure SMILES String: C=c2c(=C=C(O)CCCCC)cc1cc(/C=C/C)occ1c2=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1008225
FYIcenter.com

 23 24  0  0  0  0  0  0  0  0999 V2000
   12.1244    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    8.4000    0.0000 O   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
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    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
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 O   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
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  6  2  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
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 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
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 18 17  2  0  0  0  0
 19 17  1  0  0  0  0
 19  9  1  0  0  0  0
 20 19  2  0  0  0  0
 21 13  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008225-3D
FYIcenter.com

 45 46  0  0  0  0  0  0  0  0999 V2000
    0.8851   -0.0932    0.0036 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2279   -0.0309   -0.0392 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0177    1.2040   -0.0244 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4218    2.3652    0.0425 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7597    3.4773    0.1786 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9576    4.4565   -0.7694 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6784    3.7326    1.1876 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2122    3.6719    2.6207 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1025    3.9182    3.6421 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6516    3.8580    5.0667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4406    4.1050    6.0936 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4759    1.1743    0.0143 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1560    0.0132    0.0323 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6111   -0.0138    0.1377 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2302   -1.2044    0.2655 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6548   -1.3253    0.5110 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2903   -2.4840    0.7539 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7509   -3.3870    0.0570 H   0  0  0  0  0  0  0  0  0  0  0  0
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  6 26  1  0  0  0  0
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  7 27  1  0  0  0  0
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  8  9  1  0  0  0  0
  8 29  1  0  0  0  0
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  9 10  1  0  0  0  0
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  9 32  1  0  0  0  0
 10 11  1  0  0  0  0
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 22 23  2  0  0  0  0
M  END
$$$$