Molecule FYI-1014801

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A

Molecule Summary:

ID: FYI-1014801
Names:
InChIKey: MVKAHJLPJBMCFN-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCN(CC(O)CO)CC(O)CO

Received at FYIcenter.com on: 2025-05-27

Molecule ID: FYI-1014801 Edit

Molecule Structure InChIKey: MVKAHJLPJBMCFN-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCCN(CC(O)CO)CC(O)CO

Download SDF Download SVG Structure in 2D SDF:

FYI-1014801
FYIcenter.com

 23 22  0  0  0  0  0  0  0  0999 V2000
   19.3989    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7615    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    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
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
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 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
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 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014801-3D
FYIcenter.com

 62 61  0  0  1  0  0  0  0  0999 V2000
    0.9698   -1.6003   -0.6787 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4812   -1.4689   -0.6053 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9866   -1.6892    0.8183 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5058   -1.5618    0.8796 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0229   -1.7794    2.2991 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5428   -1.6457    2.3398 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0773   -1.8573    3.7518 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5971   -1.7134    3.7783 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1366   -1.9285    5.1882 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6558   -1.7925    5.2263 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1804   -2.0267    6.6429 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7091   -1.8846    6.6831 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3267   -2.0868    8.0162 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0489   -3.4582    8.5267 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5986   -3.8004    9.9312 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.1196   -2.8933   10.9371 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1696   -5.2190   10.3413 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.7989   -1.8531    7.9193 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2640   -0.4560    7.4271 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.7720    0.5907    8.2641 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8024   -0.4002    7.3996 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9946   -2.3791    1.6609 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7936   -2.8542    4.1093 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6246   -1.1268    4.4329 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  4  5  1  0  0  0  0
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 23 62  1  0  0  0  0
M  END
$$$$

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2025-06-21, 2248👍, 0💬