Molecule FYI-1004194

A

Molecule Summary:

ID: FYI-1004194
Names:
InChIKey: SEBFKMXJBCUCAI-HKTJVKLFSA-N
SMILES: COc5cc([C@H]4Oc3cc([C@H]2Oc1cc(O)cc(O)c1C(=O)[C@@H]2O)ccc3O[C@@H]4CO)ccc5O

Received at FYIcenter.com on: 2023-08-22

Molecule ID: FYI-1004194 Edit

Molecule Structure InChIKey: SEBFKMXJBCUCAI-HKTJVKLFSA-N

Molecule Structure SMILES String: COc5cc([C@H]4Oc3cc([C@H]2Oc1cc(O)cc(O)c1C(=O)[C@@H]2O)ccc3O[C@@H]4CO)ccc5O

Download SDF Download SVG Structure in 2D SDF:

FYI-1004194
FYIcenter.com

 35 39  0  0  1  0  0  0  0  0999 V2000
   12.1244    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5494    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5494    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7618    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7618    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5494    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6996    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    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
    7.2747    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    2.1000    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
  6  4  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  2  0  0  0  0
 10  3  1  0  0  0  0
 11 10  1  0  0  0  0
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 17 16  1  0  0  0  0
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 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
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 22 21  2  0  0  0  0
 22 13  1  0  0  0  0
 19 23  1  6  0  0  0
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 18 32  1  1  0  0  0
 33 32  1  0  0  0  0
 34 12  1  0  0  0  0
 34  2  1  0  0  0  0
 34 35  1  6  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004194-3D
FYIcenter.com

 57 61  0     1  0  0  0  0  0999 V2000
    1.8496   -0.0580    0.3713 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4090   -2.8785    0.4994 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2660   -0.2457    0.8250 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6733   -0.9779   -2.7354 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.0570    1.4730   -1.6827 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8561    2.2706   -1.9375 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0022    1.6240    3.0601 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9999    3.4580    0.2997 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0746   -0.5790    0.9169 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4326   -1.9054    0.2267 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8830   -1.0125   -0.3276 C   0  0  2  0  0  0  0  0  0  0  0  0
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   -2.9993   -0.1838   -1.6081 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8793   -1.0139    0.2428 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1486   -2.3800    0.3150 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1229    0.4991    0.7488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4246   -0.5693    0.0222 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7412   -2.5062    0.7326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1976   -2.8592    0.0043 C   0  0  0  0  0  0  0  0  0  0  0  0
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 35 57  1  0  0  0  0
M  END
$$$$

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2023-09-10, 1509👍, 0💬