Molecule FYI-1001331

A

Molecule Summary:

ID: FYI-1001331
SMILES: CC(C)(O[C@@H]1C[C@@H]([C@H](C[C@@H](C([C@]2(C)C=C3)=CC3=O)F)[C@@]22F)[C@]3(C)C[C@@H]2O)O[C@@]13C(CO)=O

Received at FYIcenter.com on: 2022-05-19

Molecule ID: FYI-1001331 Edit

Molecule Structure SMILES String: CC(C)(O[C@@H]1C[C@@H]([C@H](C[C@@H](C([C@]2(C)C=C3)=CC3=O)F)[C@@]22F)[C@]3(C)C[C@@H]2O)O[C@@]13C(CO)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1001331
FYIcenter.com

 32 36  0  0  1  0  0  0  0  0999 V2000
    7.7227    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7227    1.4112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9448    0.7056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2967    2.7004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2479    3.6447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9546    5.0251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5510    5.1726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7216    6.3143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2956    7.6035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4660    8.7453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0400   10.0345    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.0626    8.5977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2330    9.7395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8296    9.5920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.7337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2555    8.3027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0850    7.1610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4886    7.3085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7718    6.1231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3180    6.1668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1999    5.8118    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7440    4.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3406    4.7301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5736    3.7359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9770    3.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5233    2.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0258    2.9391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8452    2.1642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8036    0.8222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5815    2.9391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3593    2.2335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3193    1.5587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  1  0  0  0
  6  5  1  0  0  0  0
  7  6  1  6  0  0  0
  8  7  1  0  0  0  0
  8  9  1  1  0  0  0
 10  9  1  0  0  0  0
 10 11  1  1  0  0  0
 12 10  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 14  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 18 12  1  0  0  0  0
 18 19  1  6  0  0  0
 20 18  1  0  0  0  0
 20  8  1  0  0  0  0
 20 21  1  1  0  0  0
 22 20  1  0  0  0  0
 22 23  1  6  0  0  0
 24 22  1  0  0  0  0
 25 24  1  0  0  0  0
 25  7  1  0  0  0  0
 25 26  1  6  0  0  0
 27 25  1  0  0  0  0
 27  5  1  0  0  0  0
 27 28  1  6  0  0  0
 29 28  2  0  0  0  0
 30 28  1  0  0  0  0
 31 30  1  0  0  0  0
 32 27  1  0  0  0  0
 32  2  1  0  0  0  0
M  END
$$$$

Molecule Structure in 3D: Not available

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2022-07-01, 2612👍, 0💬