Molecule FYI-1013151

A

Molecule Summary:

ID: FYI-1013151
Names:
InChIKey: DIRROHKULXIUCB-DHJOXOLYSA-N
SMILES: OC[C@H]5O[C@@H](Oc3cc2c(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)cc(O)cc2[o+]c3c4ccc(O)cc4)[C@H](O)[C@@H](O)[C@@H]5O.[Cl-]

Received at FYIcenter.com on: 2024-11-15

Molecule ID: FYI-1013151 Edit

Molecule Structure InChIKey: DIRROHKULXIUCB-DHJOXOLYSA-N

Molecule Structure SMILES String: OC[C@H]5O[C@@H](Oc3cc2c(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)cc(O)cc2[o+]c3c4ccc(O)cc4)[C@H](O)[C@@H](O)[C@@H]5O.[Cl-]

Download SDF Download SVG Structure in 2D SDF:

FYI-1013151
FYIcenter.com

 43 46  0  0  1  0  0  0  0  0999 V2000
    8.4000    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    6.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    7.2747    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    7.7000    8.4871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    9.6996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8000    9.6996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000   10.9120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8000   12.1244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000   13.3368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000   12.1244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000   10.9120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9000    7.2747    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
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 28  4  1  0  0  0  0
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 40 39  1  0  0  0  0
 41 38  1  0  0  0  0
 41 31  1  0  0  0  0
 42 29  2  0  0  0  0
 42  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013151-3D
FYIcenter.com

 74 77  0  0  1  0  0  0  0  0999 V2000
   10.9521   11.5179   -0.4596 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5396   10.2273   -0.2880 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5435    9.4776   -1.6304 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1898    9.5196   -2.1407 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9300    8.9834   -3.4287 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.7494    9.6187   -4.0212 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4358    9.7213   -3.6835 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6037    8.8239   -2.9928 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1815    9.0934   -2.9254 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0828    8.3068   -2.4124 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3387    7.0224   -2.0449 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4995    5.8496   -0.1917 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0474    4.9423    0.7978 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3361    4.5721    1.5345 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8340    5.7375    2.2149 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9142    2.8772    1.1910 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7384    3.1816   -1.6254 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

✍: FYIcenter.com

2024-11-23, 1380👍, 0💬