Molecule FYI-1010157

A

Molecule Summary:

ID: FYI-1010157
Names:
InChIKey: FKRPVJRJQZWHMU-PTADQYPYSA-N
SMILES: C=C[C@@]1(C)CCC2=C([C@H]1O)[C@H](O)[C@]3(O)OC[C@@]24CCCC(C)(C)[C@]34O

Received at FYIcenter.com on: 2024-05-31

Molecule ID: FYI-1010157 Edit

Molecule Structure InChIKey: FKRPVJRJQZWHMU-PTADQYPYSA-N

Molecule Structure SMILES String: C=C[C@@]1(C)CCC2=C([C@H]1O)[C@H](O)[C@]3(O)OC[C@@]24CCCC(C)(C)[C@]34O

Download SDF Download SVG Structure in 2D SDF:

FYI-1010157
FYIcenter.com

 25 28  0  0  1  0  0  0  0  0999 V2000
    5.9992    4.8507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8234    5.5296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6477    6.2084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5003    5.5866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4584    4.1719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6938    3.5919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8234    4.1719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9992    3.4930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6575    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0068    1.2774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1488    2.6277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9084    3.1798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7665    4.5302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8462    5.3220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1257    4.7735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1210    3.3571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1541    2.3912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6159    3.5183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6788    0.9952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2875    1.7999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4668    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8091    1.4321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9992    6.2084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1751    5.5296    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  2  0  0  0  0
  7  6  1  0  0  0  0
  7  2  1  0  0  0  0
  7  8  1  6  0  0  0
  9  6  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 12  5  1  0  0  0  0
 12 13  1  6  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 16 11  1  0  0  0  0
 17 16  1  0  0  0  0
 18 16  1  0  0  0  0
 19 12  1  0  0  0  0
 20 19  1  0  0  0  0
 20 10  1  0  0  0  0
 11 21  1  1  0  0  0
 10 22  1  1  0  0  0
  9 23  1  6  0  0  0
 24  2  1  0  0  0  0
 25 24  2  0  0  0  0
M  END
$$$$

Molecule Structure in 3D: Not available

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2024-06-03, 1125👍, 0💬