Molecule FYI-1006241

A

Molecule Summary:

ID: FYI-1006241
Names:
InChIKey: OVSQVDMCBVZWGM-SJWGPRHPSA-N
SMILES: O=c3c(O[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)c(c2ccc(O)c(O)c2)oc4cc(O)cc(O)c34

Received at FYIcenter.com on: 2023-12-05

Molecule ID: FYI-1006241 Edit

Molecule Structure InChIKey: OVSQVDMCBVZWGM-SJWGPRHPSA-N

Molecule Structure SMILES String: O=c3c(O[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)c(c2ccc(O)c(O)c2)oc4cc(O)cc(O)c34

Download SDF Download SVG Structure in 2D SDF:

FYI-1006241
FYIcenter.com

 33 36  0  0  1  0  0  0  0  0999 V2000
    9.6996    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    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
    7.2747    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    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
    6.0623    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0623    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
    1.2125    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4871    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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
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  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
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 11 10  2  0  0  0  0
 12  9  1  0  0  0  0
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 18 13  1  0  0  0  0
 17 19  1  1  0  0  0
 20 19  1  0  0  0  0
 16 21  1  1  0  0  0
 15 22  1  6  0  0  0
 14 23  1  1  0  0  0
 24  8  1  0  0  0  0
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 31 27  1  0  0  0  0
 32  3  1  0  0  0  0
 33  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006241-3D
FYIcenter.com

 53 56  0     1  0  0  0  0  0999 V2000
   -2.0270   -0.7004   -0.2188 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3144   -1.0796    1.3394 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9284   -4.1861   -1.2418 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6231   -2.0389   -0.0625 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5775   -2.5220    1.9374 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8115    0.8275   -2.6113 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9444    1.5185    0.0219 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0971   -2.4283    1.0228 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6169   -2.5123    0.3306 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.5802   -2.4364   -0.9521 C   0  0  2  0  0  0  0  0  0  0  0  0
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   -2.7555   -1.1996   -1.3472 C   0  0  1  0  0  0  0  0  0  0  0  0
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   -3.6259   -0.0602   -1.8666 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8147   -0.4434    0.8708 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8360    0.8572    0.5268 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0553   -1.2421    0.7247 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2316   -0.5314    0.2006 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1134    0.8178   -0.1250 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4492   -1.1947    0.0287 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4 42  1  0  0  0  0
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  6 44  1  0  0  0  0
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 20 24  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 25  2  0  0  0  0
 23 26  2  0  0  0  0
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 24 28  1  0  0  0  0
 25 29  1  0  0  0  0
 26 30  1  0  0  0  0
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 27 31  1  0  0  0  0
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 29 30  2  0  0  0  0
 29 48  1  0  0  0  0
 31 33  2  0  0  0  0
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 32 49  1  0  0  0  0
M  END
$$$$

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2023-12-17, 363👍, 0💬