Molecule FYI-1005493

A

Molecule Summary:

ID: FYI-1005493
Names:
InChIKey: AZBSIYDNLQVDGS-NDIPONJXSA-N
SMILES: C[C@@H]1CN[C@@H]3[C@@H](C1)O[C@]24CC[C@H]5C(=C2C[C@H]34)C[C@@H]7[C@@H]5CC=C6CC(O)CC[C@]67C

Received at FYIcenter.com on: 2023-10-31

Molecule ID: FYI-1005493 Edit

Molecule Structure InChIKey: AZBSIYDNLQVDGS-NDIPONJXSA-N

Molecule Structure SMILES String: C[C@@H]1CN[C@@H]3[C@@H](C1)O[C@]24CC[C@H]5C(=C2C[C@H]34)C[C@@H]7[C@@H]5CC=C6CC(O)CC[C@]67C

Download SDF Download SVG Structure in 2D SDF:

FYI-1005493
FYIcenter.com

 29 35  0  0  1  0  0  0  0  0999 V2000
    2.8281   16.0053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3955   14.6737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3322   13.6334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8996   12.3019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5303   12.0108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3838   10.6185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6629   10.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5996   11.0895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6224    9.1123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9134    7.7429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2450    7.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2853    8.2471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9943    9.6164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1714    9.9185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5934   13.0513    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0260   14.3827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0906    6.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9135    5.4777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2450    5.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6225    4.1082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6629    3.1715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9944    3.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2854    4.9736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2910    3.6756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0404    1.3694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3719    1.8021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7494    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5821    5.0450    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  6  1  0  0  0  0
  7  8  1  6  0  0  0
  4  8  1  1  0  0  0
  9  7  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 11 12  1  6  0  0  0
 13 12  1  0  0  0  0
 13  7  1  0  0  0  0
  6 14  1  6  0  0  0
  5 15  1  6  0  0  0
 16 15  1  0  0  0  0
 16  2  1  0  0  0  0
  9 14  1  0  0  0  0
 18 17  1  6  0  0  0
 18 19  1  0  0  0  0
 11 19  1  0  0  0  0
 10 17  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 19 23  1  1  0  0  0
 18 20  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 21 27  1  0  0  0  0
 20 24  1  0  0  0  0
 26 28  1  0  0  0  0
 20 29  1  6  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005493-3D
FYIcenter.com

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2023-11-06, 1310👍, 0💬