Molecule Editor

Molecule ID: FYI-1016456 Edit

Molecule Structure InChIKey: ZHKCOGVKHHAUBK-NCUBBLFSSA-N

Molecule Structure SMILES String: C=C[C@@](C)(/C=C/c1ccc(O)c(O)c1)CC/C=C(C)/C

Download SDF Download SVG Structure in 2D SDF:

FYI-1016456
FYIcenter.com

 20 20  0  0  1  0  0  0  0  0999 V2000
   13.3367    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   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
    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    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
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   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
    7.2746    2.8000    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  2  2  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  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  7  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 15  1  0  0  0  0
 18 17  1  0  0  0  0
 19 17  2  0  0  0  0
 19 12  1  0  0  0  0
  7 20  1  1  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016456-3D
FYIcenter.com

 44 44  0     1  0  0  0  0  0999 V2000
    5.4988    0.3576    1.6084 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8528    1.3674   -0.9573 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5032   -1.5841    0.1215 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.5819   -0.6117   -0.4559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5829    0.8068    0.1373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7366   -1.7543    1.6406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1215   -1.0309   -0.2309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5987   -2.9910   -0.4761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7026    1.6293   -0.4399 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8407   -0.6381    0.6212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9371    1.8054    0.0678 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1541   -0.1139    0.2106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4743   -3.4512   -1.3789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3287    1.1551    1.3676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0150    2.6433   -0.5597 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2204   -0.1238    1.1098 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3319    0.3926   -1.0768 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4648    0.3727    0.7215 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5762    0.8894   -1.4649 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6427    0.8794   -0.5659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5769   -1.0491   -0.2905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4609   -0.5308   -1.5462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6386    0.7941    1.2282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6405    1.3144   -0.1017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5899   -0.8240    2.1983 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.7577   -2.0995    1.8446 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0561   -0.9824   -1.3038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8589   -3.7059   -0.1139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4703    2.1155   -1.3863 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6852   -0.7049    1.6936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4192   -4.4833   -1.7096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2532   -2.8343   -1.8092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3130    0.6840    1.2652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6508    0.3672    1.7026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3950    1.9094    2.1586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3241    3.4410    0.1232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6723    3.1116   -1.4882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8880    2.0273   -0.7981 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0861   -0.5192    2.1144 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5276    0.4458   -1.8042 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7001    1.2865   -2.4690 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1919   -0.0276    2.4472 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7880    1.6740   -1.8781 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  1 43  1  0  0  0  0
  2 20  1  0  0  0  0
  2 44  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5  9  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7 10  2  0  0  0  0
  7 28  1  0  0  0  0
  8 13  2  0  0  0  0
  8 29  1  0  0  0  0
  9 11  2  0  0  0  0
  9 30  1  0  0  0  0
 10 12  1  0  0  0  0
 10 31  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 12 17  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16 18  1  0  0  0  0
 16 40  1  0  0  0  0
 17 19  2  0  0  0  0
 17 41  1  0  0  0  0
 18 20  2  0  0  0  0
 19 20  1  0  0  0  0
 19 42  1  0  0  0  0
M  END
$$$$