Molecule Editor

Molecule ID: FYI-1016453 Edit

Molecule Structure InChIKey: VVFWOBRIFGIXNB-VNUKPPSOSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1016453
FYIcenter.com

 20 20  0  0  1  0  0  0  0  0999 V2000
   12.1244    4.2000    0.0000 C   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
   14.5492    2.8000    0.0000 O   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
    9.6995    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
    7.2747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    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
    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 O   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
    3.6373    0.7000    0.0000 C   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  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  8  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 16  1  0  0  0  0
 19 18  2  0  0  0  0
 19 13  1  0  0  0  0
  8 20  1  1  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016453-3D
FYIcenter.com

 46 46  0  0  1  0  0  0  0  0999 V2000
    1.5530   -1.1371   -0.1466 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3726   -0.0866    0.0125 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0991    0.7148   -1.0711 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7669    0.1763   -2.4851 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6928    2.1806   -0.9221 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0841    2.9583   -1.8347 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7566    4.3743   -1.6387 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5395    5.2170   -0.8380 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2341    6.5757   -0.7242 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1515    7.0902   -1.4225 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8276    8.4144   -1.3519 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3668    6.2760   -2.2275 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6712    4.9170   -2.3391 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6513    0.5827   -0.8755 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1792    1.0660    0.4866 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6899    0.8963    0.6589 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1730    1.3968    2.0394 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.5168    0.6365    3.2004 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7023    1.3012    2.1266 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1764    1.7753    3.3812 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1013   -1.6161    0.7156 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042   -1.5451   -1.1194 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5334    0.2426    1.0385 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6860    0.1950   -2.6785 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1064   -0.8576   -2.6131 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2497    0.7714   -3.2689 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9168    2.6205    0.0457 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7899    2.5533   -2.8024 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4056    4.8334   -0.3090 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8564    7.2062   -0.0959 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4729    8.8570   -0.7756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4743    6.6930   -2.7722 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0520    4.2909   -2.9761 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1673    1.1382   -1.6705 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9379   -0.4710   -1.0019 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6745    0.5008    1.2722 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9418    2.1245    0.6328 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2048    1.4600   -0.1300 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9622   -0.1580    0.5276 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8935    2.4532    2.1501 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6945   -0.4406    3.1162 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4360    0.8039    3.2308 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9041    0.9717    4.1679 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1741    1.9013    1.3419 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0373    0.2661    2.0100 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8215    2.6707    3.5131 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  1  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
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 31  1  0  0  0  0
 12 13  1  0  0  0  0
 12 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 15  1  0  0  0  0
 14 34  1  0  0  0  0
 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 38  1  0  0  0  0
 16 39  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 40  1  0  0  0  0
 18 41  1  0  0  0  0
 18 42  1  0  0  0  0
 18 43  1  0  0  0  0
 19 20  1  0  0  0  0
 19 44  1  0  0  0  0
 19 45  1  0  0  0  0
 20 46  1  0  0  0  0
M  END
$$$$