Molecule Editor

Molecule ID: FYI-1006510 Edit

Molecule Structure InChIKey: LVZZIYWPSBOITI-ZYNFKGNASA-M

Molecule Structure SMILES String: CC(C)c2c(CC/C(O)=C/[C@@H](O)CC(=O)[O-])c(c1ccc(F)cc1)cn2C(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1006510
FYIcenter.com

 29 30  0  0  1  0  0  0  0  0999 V2000
   11.9977    8.5978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7617    7.9407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5743    8.6825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7128    6.5415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5521    5.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2366    6.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1641    5.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8485    5.8163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6055    7.1950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4605    5.3953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.0743    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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    7.3522    1.1032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7387    0.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6005    2.0115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3372    4.3639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8160    5.6795    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1618    6.0654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1688    5.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5005    7.4238    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  1  0  0  0  0
  5  4  2  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
  8  9  1  6  0  0  0
 10  8  2  0  0  0  0
 11 10  1  0  0  0  0
 11 12  1  6  0  0  0
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 14  1  0  0  0  0
 17  5  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 21  1  0  0  0  0
 24 23  2  0  0  0  0
 24 18  1  0  0  0  0
 25 17  2  0  0  0  0
 26 25  1  0  0  0  0
 26  4  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006510-3D
FYIcenter.com

 58 59  0  0  1  0  0  0  0  0999 V2000
    3.4231    0.6238    1.1549 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5135   -0.0680    0.1313 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0403    0.2933    0.3332 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9711    0.1853   -1.2966 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1227    1.4071   -1.9752 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8043    2.7733   -1.4112 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7408    3.5382   -2.1947 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4022    4.8460   -1.5307 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1826    5.9350   -1.8747 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3319    4.9936   -0.7357 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.8254    6.4660   -2.2543 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6535    1.1135   -3.2812 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0976    1.9654   -4.3914 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0750    4.0406   -5.2211 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0325    3.5477   -6.5162 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$