Molecule FYI-1005655

A

Molecule Summary:

ID: FYI-1005655
Names:
InChIKey: LCYRZTZERQIAPN-JNJNGYKKSA-N
SMILES: C/[O+]=C\\1CC[C@@]2(C)[C@H](C1)C(=O)C[C@@H]3[C@H]2CC[C@@]4(C)[C@@H]3CC[C@@]45C[C@@]56CO6

Received at FYIcenter.com on: 2023-11-08

Molecule ID: FYI-1005655 Edit

Molecule Structure InChIKey: LCYRZTZERQIAPN-JNJNGYKKSA-N

Molecule Structure SMILES String: C/[O+]=C\1CC[C@@]2(C)[C@H](C1)C(=O)C[C@@H]3[C@H]2CC[C@@]4(C)[C@@H]3CC[C@@]45C[C@@]56CO6

Download SDF Download SVG Structure in 2D SDF:

FYI-1005655
FYIcenter.com

 26 31  0  0  1  0  0  0  0  0999 V2000
    2.5361    5.4319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4029    4.6694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3949    3.6774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1754    2.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4254    1.6548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4175    2.6468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8185    2.5734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4554    1.3234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8565    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4934    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6205    2.4266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0215    2.3531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7856    3.5298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1867    3.4563    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
   10.1487    4.7798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7477    4.8532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9836    3.6766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3467    4.9266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5826    3.7501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9456    5.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5447    5.0734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7806    3.8969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0574    5.0429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7014    3.4545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9900    2.0702    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
  3  4  1  1  0  0  0
  5  4  1  0  0  0  0
  6  5  1  1  0  0  0
  7  6  1  0  0  0  0
  7  8  1  1  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 11 12  1  6  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 17 11  1  0  0  0  0
 17 18  1  6  0  0  0
 19 17  1  0  0  0  0
 19  7  1  0  0  0  0
 19 20  1  1  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 22  6  1  0  0  0  0
 22  3  1  0  0  0  0
 22 23  1  6  0  0  0
 24  2  1  0  0  0  0
 25 24  1  0  0  0  0
 25  2  1  0  0  0  0
 14 26  1  0  0  0  0
  1  3  1  0  0  0  0
M  END
$$$$

Molecule Structure in 3D: Not available

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2023-11-13, 2193👍, 0💬