Molecule FYI-1007061

A

Molecule Summary:

ID: FYI-1007061
Names:
InChIKey: SEOQBBBXLPNBFL-PDOUMABYSA-N
SMILES: C[C@@H]2CN[C@H]1[C@@H](C)CO[C@@H]1C2.CC4CCC3C[C@H]2[C@@H](CC=C1C[C@@H](O)CC[C@@]12C)C3CC4

Received at FYIcenter.com on: 2024-01-28

Molecule ID: FYI-1007061 Edit

Molecule Structure InChIKey: SEOQBBBXLPNBFL-PDOUMABYSA-N

Molecule Structure SMILES String: C[C@@H]2CN[C@H]1[C@@H](C)CO[C@@H]1C2.CC4CCC3C[C@H]2[C@@H](CC=C1C[C@@H](O)CC[C@@]12C)C3CC4

Download SDF Download SVG Structure in 2D SDF:

FYI-1007061
FYIcenter.com

 32 36  0  0  1  0  0  0  0  0999 V2000
    2.6566   15.3183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2240   13.9868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1608   12.9464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7282   11.6149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3588   11.3238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.9315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4914    9.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282   10.4025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.2315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4220   12.3643    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8546   13.6957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500    5.6631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4193    4.3841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500    3.1052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6729    1.9726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0652    2.1189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8881    0.9863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2804    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8498    2.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0270    3.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6345    3.3978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8118    4.5305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1028    5.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8903    6.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2041    4.6768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1033    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8066    7.9974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6618    8.8032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3180    8.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7870    7.1152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4688    5.8924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3812    9.4510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  8  1  6  0  0  0
  4  8  1  1  0  0  0
  6  9  1  6  0  0  0
  5 10  1  6  0  0  0
 11 10  1  0  0  0  0
 11  2  1  0  0  0  0
  6  7  1  0  0  0  0
 13 12  1  0  0  0  0
 13 14  1  1  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 21 16  1  0  0  0  0
 22 21  1  0  0  0  0
 22 13  1  0  0  0  0
 22 23  1  6  0  0  0
 24 23  1  0  0  0  0
 24 12  1  0  0  0  0
 21 25  1  6  0  0  0
 18 26  1  6  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 12 31  1  0  0  0  0
 24 27  1  0  0  0  0
 29 32  1  0  0  0  0
M  END
$$$$

Molecule Structure in 3D: Not available

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2024-02-11, 976👍, 0💬