Molecule Editor

Molecule ID: FYI-1003522 Edit

Molecule Structure InChIKey: ZBJMJNFORKVCHU-MXNKGDRCSA-N

Molecule Structure SMILES String: COc4cc3=C[C@H]1[C@](C)(CC[C@H]2C(C)(C)CCC[C@]12C)Oc3cc4=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1003522
FYIcenter.com

 25 28  0  0  1  0  0  0  0  0999 V2000
   12.3120    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6747    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2498    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6747    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8871    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6125    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6125    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7001    2.2876    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  1  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 10  5  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 12  3  1  0  0  0  0
 13 12  2  0  0  0  0
  8 14  1  6  0  0  0
 15  8  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  1  0  0  0
 18 17  1  0  0  0  0
 18  7  1  0  0  0  0
 18 19  1  1  0  0  0
 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 23 17  1  0  0  0  0
 24 23  1  0  0  0  0
 25 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003522-3D
FYIcenter.com

 55 58  0     1  0  0  0  0  0999 V2000
   -0.5579    1.6540    0.4520 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2740   -1.3224   -0.3691 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0948    0.7935    1.4513 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6891   -0.5708   -0.2240 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9581    0.3379   -0.0547 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6593    0.2217   -1.1409 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2533   -0.3402    0.5225 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3353    1.6742   -0.6793 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5731    1.6626    0.6263 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1103   -1.8788   -0.9524 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5996    2.4484   -0.2477 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5126   -1.6774   -0.2149 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2954   -2.5880   -0.3025 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0337   -0.9677    1.1247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6423   -0.5248   -1.3290 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2366   -0.5677    2.0460 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4824    0.5664    0.2374 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.7606   -0.1773   -0.6663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7334    0.9389    0.2768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9931   -0.9209   -0.8676 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4538    2.2938    0.7805 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3773   -1.6493   -1.9927 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2692   -2.5813   -0.9998 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3112    3.3574    0.2960 H   0  0  0  0  0  0  0  0  0  0  0  0
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  2 23  1  0  0  0  0
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  3 24  2  0  0  0  0
  4  5  1  0  0  0  0
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  4 10  1  0  0  0  0
  4 14  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  5 26  1  0  0  0  0
  6  8  1  0  0  0  0
  6 15  1  0  0  0  0
  6 27  1  0  0  0  0
  7 12  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8 11  1  0  0  0  0
  8 18  1  0  0  0  0
  9 11  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 13  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
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 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 15 19  2  0  0  0  0
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 25 55  1  0  0  0  0
M  END
$$$$