Molecule Editor

Molecule ID: FYI-1002198 Edit

Molecule Structure InChIKey: NNZMAUMXMGGQOF-JSKKQJDMSA-N

Molecule Structure SMILES String: COc6cccc(C3C(N(=O)=O)C(c1ccccc1)C2CCCCC2(O)C35C(=O)c4ccccc4C5=O)c6

Download SDF Download SVG Structure in 2D SDF:

FYI-1002198
FYIcenter.com

 42 47  0  0  0  0  0  0  0  0999 V2000
    6.7406    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1033    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1033    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1000    7.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    4.6710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4596    3.6073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9530    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3779    7.7000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 10 16  1  0  0  0  0
  9 13  1  0  0  0  0
 11 17  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
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 21 22  2  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 23 24  1  0  0  0  0
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  8 26  1  0  0  0  0
  8 23  1  0  0  0  0
 12 27  1  0  0  0  0
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 23 30  2  0  0  0  0
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 25 35  2  0  0  0  0
 24 32  2  0  0  0  0
  9 36  1  0  0  0  0
 10 37  1  1  0  0  0
  2 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 41  1  0  0  0  0
 39 42  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002198-3D
FYIcenter.com

 67 72  0  0  1  0  0  0  0  0999 V2000
    1.1543    0.1877   -0.1871 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3955    0.2444    0.5143 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0931   -0.9345    0.5831 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6167   -2.1434    0.0774 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3584   -3.2895    0.2465 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5706   -3.2236    0.9230 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1381   -2.0287    1.4089 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5515   -1.9666    2.2095 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.6121   -2.3508    1.1644 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.9564   -1.8538    1.6173 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6408   -3.8395    0.8448 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.5338   -4.2364   -0.3282 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8798   -4.5808   -0.1838 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6569   -4.7425    2.0985 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.4849   -6.2326    1.6829 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5473   -4.3655    6.7149 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 38 67  1  0  0  0  0
M  END
$$$$