Molecule FYI-1013316

A

Molecule Summary:

ID: FYI-1013316
Names:
InChIKey: LYLYCGIGDCSDJT-ZSPFADIGSA-N
SMILES: CC(C)C3CCC4C2CCC1=C/C(=[N+](C)/O)CC[C@]1(C)C2CC[C@]34C

Received at FYIcenter.com on: 2024-12-09

Molecule ID: FYI-1013316 Edit

Molecule Structure InChIKey: LYLYCGIGDCSDJT-ZSPFADIGSA-N

Molecule Structure SMILES String: CC(C)C3CCC4C2CCC1=C/C(=[N+](C)/O)CC[C@]1(C)C2CC[C@]34C

Download SDF Download SVG Structure in 2D SDF:

FYI-1013316
FYIcenter.com

 31 34  0  0  0  0  0  0  0  0999 V2000
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6777    9.3368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1083   10.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7159   10.4694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792   11.5098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2118   12.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4098   11.2187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0070   11.8388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.7000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  4 10  1  0  0  0  0
  3  7  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  6 14  2  0  0  0  0
  5 11  1  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
  8 20  1  0  0  0  0
  7 18  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 20 24  1  6  0  0  0
  5 25  1  1  0  0  0
  7 26  1  6  0  0  0
  4 27  1  6  0  0  0
  1 28  1  0  0  0  0
 12 29  1  0  0  0  0
  3 30  1  1  0  0  0
  8 31  1  1  0  0  0
M  END
$$$$

Molecule Structure in 3D: Not available

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2024-12-18, 927👍, 0💬