Molecule Editor

Molecule ID: FYI-1015392 Edit

Molecule Structure InChIKey: VIYYPDOLKGIAQD-UHFFFAOYSA-N

Molecule Structure SMILES String: COc1ccc2c(c1)Cc3c(O)cc(OC)cc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1015392
FYIcenter.com

 18 20  0  0  0  0  0  0  0  0999 V2000
    9.2193    5.6695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0068    6.3695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7944    5.6695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7944    4.2695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5820    3.5695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3695    4.2695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3695    5.6695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0381    6.1021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    4.9695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    4.8232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.9558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2534    3.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0763    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5069    1.1327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3298    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4687    2.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0381    3.8369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5820    6.3695    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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  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 10  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 13  1  0  0  0  0
 17 16  2  0  0  0  0
 17  9  1  0  0  0  0
 17  6  1  0  0  0  0
 18  7  2  0  0  0  0
 18  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015392-3D
FYIcenter.com

 32 34  0  0  0  0  0  0  0  0999 V2000
    1.1404   -0.0447    0.3196 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4951    0.1098   -0.0894 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1190    1.2507    0.3411 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7860    1.9558    1.5119 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4953    3.1039    1.8903 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5366    3.5335    1.0868 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8730    2.8200   -0.0807 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1834    1.6787   -0.4572 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0349    3.4847   -0.7839 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3269    4.6634    0.1242 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2884    5.6470    0.0077 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1764    5.6987   -1.0227 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3674    6.6424    0.9817 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4814    6.6486    2.0723 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4717    7.5745    3.0828 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4418    8.6131    3.0073 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5054    5.6501    2.1892 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4318    4.6644    1.2158 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7485   -0.9491   -0.1546 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5338    0.8032   -0.0171 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0567   -0.1844    1.4018 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9879    1.6188    2.1648 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2297    3.6331    2.7989 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4527    1.1301   -1.3540 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7396    3.8299   -1.7779 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8957    2.8118   -0.8289 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0103    4.9529   -1.6208 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1320    7.4026    0.8645 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3039    9.2654    3.8750 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2991    9.2219    2.1083 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4582    8.2081    3.0545 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8231    5.6568    3.0328 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  2  0  0  0  0
  4  5  2  0  0  0  0
  4 22  1  0  0  0  0
  5  6  1  0  0  0  0
  5 23  1  0  0  0  0
  6  7  2  0  0  0  0
  6 18  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 24  1  0  0  0  0
  9 10  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 11  1  0  0  0  0
 10 18  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 27  1  0  0  0  0
 13 14  1  0  0  0  0
 13 28  1  0  0  0  0
 14 15  1  0  0  0  0
 14 17  2  0  0  0  0
 15 16  1  0  0  0  0
 16 29  1  0  0  0  0
 16 30  1  0  0  0  0
 16 31  1  0  0  0  0
 17 18  1  0  0  0  0
 17 32  1  0  0  0  0
M  END
$$$$