Molecule Editor

Molecule ID: FYI-1005398 Edit

Molecule Structure InChIKey: WQUGGRZFLDVKBG-MXZWYLIDSA-N

Molecule Structure SMILES String: CC(=O)[C@]5(O)CC3=C(O)C2C(=O)c1ccccc1C(=O)C2C(O)=C3[C@@H](O[C@H]4C[C@H](N(C)C)[C@H](O)[C@H](C)O4)C5

Download SDF Download SVG Structure in 2D SDF:

FYI-1005398
FYIcenter.com

 38 42  0  0  1  0  0  0  0  0999 V2000
    6.0621   14.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   11.1999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621   10.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    9.0999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4248    8.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497   11.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4248   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  3  2  1  0  0  0  0
  3  4  1  6  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
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  8  7  1  6  0  0  0
  9  8  1  0  0  0  0
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 19 18  1  0  0  0  0
 20 16  2  0  0  0  0
 21 20  1  0  0  0  0
 22 20  1  0  0  0  0
 23 22  1  0  0  0  0
 23 18  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
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 28 27  2  0  0  0  0
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 35 34  1  0  0  0  0
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 35 36  1  6  0  0  0
 37 36  1  0  0  0  0
 38 36  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005398-3D
FYIcenter.com

 71 75  0  0  1  0  0  0  0  0999 V2000
    2.2727    2.9254    0.0947 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7559   -3.3375    3.5679 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$