Molecule FYI-1007777

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A

Molecule Summary:

ID: FYI-1007777
Names:
InChIKey: RMIANEGNSBUGDJ-BDAKNGLRSA-N
SMILES: C=C(C)[C@@H]1CC[C@@H](C)CC1=O

Received at FYIcenter.com on: 2024-03-16

Molecule ID: FYI-1007777 Edit

Molecule Structure InChIKey: RMIANEGNSBUGDJ-BDAKNGLRSA-N

Molecule Structure SMILES String: C=C(C)[C@@H]1CC[C@@H](C)CC1=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1007777
FYIcenter.com

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 O   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
  3  7  1  1  0  0  0
  6  8  1  6  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  1 11  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007777-3D
FYIcenter.com

 27 27  0     1  0  0  0  0  0999 V2000
   -0.6035   -2.0381   -0.2284 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2085    0.0762   -0.2942 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5618    1.4240    0.0535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6867    0.3095    0.4066 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0753    1.4307   -0.3055 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4873   -1.0731    0.4115 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0003   -1.0259    0.1244 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6923    0.0808    0.0670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1207    0.2731   -0.0151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1355    0.4484    1.0754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4790    0.0945   -1.2952 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1225   -0.0733   -1.3791 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0664    2.2315   -0.4903 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6812    1.6366    1.1235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6213    0.4642    1.4917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3533    2.4038   -0.0346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0071    1.3421   -1.3962 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6222   -1.0255    1.4982 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8823   -2.0351    0.0656 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1619   -0.8691   -0.2091 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2185    0.8813   -0.4634 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8404    0.2323    1.1417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0305   -0.3441    1.8235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9991    1.4158    1.5697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1613    0.4116    0.6937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5243    0.0711   -1.5859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7487   -0.0411   -2.0856 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  2  8  1  0  0  0  0
  2 12  1  0  0  0  0
  3  5  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  4 15  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
M  END
$$$$

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2024-03-23, 962👍, 0💬