Molecule FYI-1003527

A

Molecule Summary:

ID: FYI-1003527
Names:
InChIKey: PLBGFBROZZUTKG-PHCFSIKCSA-N
SMILES: CCCCC[C@@H](O)c1c(/C=C/[C@@H](O)[C@@H](O)CCCC(=O)OC)nc(C)n1C

Received at FYIcenter.com on: 2023-06-28

Molecule ID: FYI-1003527 Edit

Molecule Structure InChIKey: PLBGFBROZZUTKG-PHCFSIKCSA-N

Molecule Structure SMILES String: CCCCC[C@@H](O)c1c(/C=C/[C@@H](O)[C@@H](O)CCCC(=O)OC)nc(C)n1C

Download SDF Download SVG Structure in 2D SDF:

FYI-1003527
FYIcenter.com

 27 27  0  0  1  0  0  0  0  0999 V2000
   12.6539    5.8380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6944    4.9012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0259    5.3339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0663    4.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3977    4.8297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4381    3.8929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7696    4.3255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4033    3.5318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    3.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    1.5624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2707    1.5700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6401    1.2789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2095    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3401    2.4914    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7324    2.6378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
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 26 24  1  0  0  0  0
 26  8  1  0  0  0  0
 27 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003527-3D
FYIcenter.com

 61 61  0     1  0  0  0  0  0999 V2000
    0.5536   -2.3132   -0.9537 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6575    3.9853    0.9466 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7129    3.0484    2.6910 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3840   -2.4766   -0.8962 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3507   -2.3621    1.1634 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4688    0.0604   -2.5271 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3647    1.8542   -1.8234 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8568   -1.7033   -0.8663 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-07-05, 2645👍, 0💬