Molecule FYI-1002255

A

Molecule Summary:

ID: FYI-1002255
Names:
InChIKey: AHDDXXVFDWAUGA-UHFFFAOYSA-N
SMILES: CCc1cc(O)c8c6c1c2c(CC)cc(O)c4c2c7c3c(C(C)=CC(=O)C3C4O)c5C(C)=CC(=O)C(c5c67)C8O

Received at FYIcenter.com on: 2023-02-12

Molecule ID: FYI-1002255 Edit

Molecule Structure InChIKey: AHDDXXVFDWAUGA-UHFFFAOYSA-N

Molecule Structure SMILES String: CCc1cc(O)c8c6c1c2c(CC)cc(O)c4c2c7c3c(C(C)=CC(=O)C3C4O)c5C(C)=CC(=O)C(c5c67)C8O

Download SDF Download SVG Structure in 2D SDF:

FYI-1002255
FYIcenter.com

 40 47  0  0  0  0  0  0  0  0999 V2000
    7.2746   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.2000    0.0000 O   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  1  0  0  0  0
  7  5  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  3  1  0  0  0  0
 10  9  1  0  0  0  0
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 22  7  1  0  0  0  0
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 32 16  1  0  0  0  0
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 34 31  1  0  0  0  0
 35 34  2  0  0  0  0
 36 34  1  0  0  0  0
 37 36  2  0  0  0  0
 37 29  1  0  0  0  0
 38 37  1  0  0  0  0
 39 27  1  0  0  0  0
 40 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002255-3D
FYIcenter.com

 68 75  0  0  1  0  0  0  0  0999 V2000
    3.2220   -6.8184  -13.9391 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6477   -7.0287  -13.4416 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8359   -7.6323  -12.0526 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5581   -9.0044  -11.9643 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5441   -9.6341  -10.7351 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3564  -10.9893  -10.6798 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6379   -8.9064   -9.5539 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9337   -7.4943   -9.6182 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2112   -6.8731  -10.8673 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7370   -5.5125  -10.8608 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5076   -4.8885  -11.8985 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3366   -5.6887  -12.9000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6002   -3.4976  -11.9869 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0544   -2.6949  -10.9995 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0803   -1.3382  -11.1324 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5675   -3.2731   -9.8334 C   0  0  0  0  0  0  0  0  0  0  0  0
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 39 40  1  0  0  0  0
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 40 68  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-03-07, 2901👍, 0💬