Molecule FYI-1005618

A

Molecule Summary:

ID: FYI-1005618
Names:
InChIKey: NIKHGUQULKYIGE-XSBFNCLBSA-N
SMILES: C=C3C[C@@]24CC[C@@H]1[C@@](C)(C(=O)O)CCC[C@]1(C)[C@@H]2CC[C@@H]3C4

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

Molecule ID: FYI-1005618 Edit

Molecule Structure InChIKey: NIKHGUQULKYIGE-XSBFNCLBSA-N

Molecule Structure SMILES String: C=C3C[C@@]24CC[C@@H]1[C@@](C)(C(=O)O)CCC[C@]1(C)[C@@H]2CC[C@@H]3C4

Download SDF Download SVG Structure in 2D SDF:

FYI-1005618
FYIcenter.com

 22 25  0  0  1  0  0  0  0  0999 V2000
    6.1283    5.4694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0110    4.1059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    4.7902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3816    4.1059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3816    2.7372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.0529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0110    2.7372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8258    2.0529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6404    2.7372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4248    3.9815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0413    4.9146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9841    6.2821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7712    6.9162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2384    5.8513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5109    5.3474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3660    4.7968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0992    3.6411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3816    1.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.6843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3816    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0110    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  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  2  1  0  0  0  0
  7  8  1  1  0  0  0
  9  8  1  0  0  0  0
 10  9  1  1  0  0  0
 11 10  1  0  0  0  0
 11  2  1  0  0  0  0
 11 12  1  1  0  0  0
 13 12  1  0  0  0  0
 14 13  1  6  0  0  0
 15 14  1  0  0  0  0
 15 10  1  0  0  0  0
 16 14  1  0  0  0  0
 17 16  2  0  0  0  0
 18 16  1  0  0  0  0
 18 10  1  0  0  0  0
  6 19  1  1  0  0  0
 20  6  1  0  0  0  0
 21 20  2  0  0  0  0
 22 20  1  0  0  0  0
M  END
$$$$

Molecule Structure in 3D: Not available

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2023-11-13, 1410👍, 0💬