Molecule FYI-1002344

A

Molecule Summary:

ID: FYI-1002344
Names:
InChIKey: PJBPYHWWFLTONG-XDADZPDTSA-N
SMILES: CC[C@]29OC1[C@@]6(C)[C@H]8C[C@]7(N)C5([O+]3C[C@]4(C)[C@]12[C@]345)[C@@]67[C@]89C#N

Received at FYIcenter.com on: 2023-03-01

Molecule ID: FYI-1002344 Edit

Molecule Structure InChIKey: PJBPYHWWFLTONG-XDADZPDTSA-N

Molecule Structure SMILES String: CC[C@]29OC1[C@@]6(C)[C@H]8C[C@]7(N)C5([O+]3C[C@]4(C)[C@]12[C@]345)[C@@]67[C@]89C#N

Download SDF Download SVG Structure in 2D SDF:

FYI-1002344
FYIcenter.com

 22 30  0  0  1  0  0  0  0  0999 V2000
    4.3908    5.4812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4168    6.0435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4430    5.4812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4408    5.9912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9308    4.9890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667    4.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5248    3.2757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8356    3.7231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6052    2.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4050    1.8949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2256    1.8015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1245    1.8155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8155    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3084    0.6926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4052    0.8797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2674    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8773    0.6791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4413    2.2229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5399    2.4625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8384    4.0750    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    2.5654    4.7175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9477    2.5429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  1  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  1  0  0  0
  6  3  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  6  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  6  0  0  0
 11 10  1  0  0  0  0
 11  3  1  0  0  0  0
 11 12  1  1  0  0  0
 13 12  3  0  0  0  0
 14 11  1  0  0  0  0
 15 14  1  0  0  0  0
 15  5  1  0  0  0  0
 15 10  1  0  0  0  0
 15 16  1  1  0  0  0
 14 17  1  1  0  0  0
 18 17  1  0  0  0  0
 18  9  1  0  0  0  0
 18 10  1  0  0  0  0
 18 19  1  6  0  0  0
 20  9  1  0  0  0  0
 20  8  1  0  0  0  0
 21 20  1  0  0  0  0
  7 21  1  6  0  0  0
 22  7  1  0  0  0  0
M  END
$$$$

Molecule Structure in 3D: Not available

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2023-04-04, 1710👍, 0💬