Molecule FYI-1001057

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A

Molecule Summary:

ID: FYI-1001057
SMILES: C1CC2C3CC(C2C1CO)CC3CO

Received at FYIcenter.com on: 2021-11-20

Molecule ID: FYI-1001057 Edit

Molecule Structure SMILES String: C1CC2C3CC(C2C1CO)CC3CO

Download SDF Download SVG Structure in 2D SDF:

FYI-1001057
FYIcenter.com

 14 16  0  0  0  0  0  0  0  0999 V2000
    2.4552    0.2779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7628    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4312    1.1577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6525    1.7014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5127    3.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2051    3.3089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5367    2.1511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3155    1.6074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1577    2.2758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8156    4.2031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7102    3.2097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0445    3.2908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6416    4.4870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  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  3  1  0  0  0  0
  8  7  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  6  1  0  0  0  0
 12 11  1  0  0  0  0
 12  4  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001057-3D
FYIcenter.com

 34 36  0  0  1  0  0  0  0  0999 V2000
    2.5698    0.2538   -0.1853 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6156   -0.8293    0.2883 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2867   -0.4991   -0.3858 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.9605   -0.5997    0.5094 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.8246    0.6692    1.3703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8212    1.6012    0.1595 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.3100    1.0092   -0.7296 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.7109    1.5087   -0.3594 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.2664    2.4467   -1.4326 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5616    2.9049   -1.0759 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1952    1.2580   -0.4369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2410   -0.2834   -0.3291 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.3158   -0.9429   -1.7118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5144   -0.5775   -2.3829 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0357   -0.0445   -1.1311 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3720    0.4178    0.5427 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5433   -0.8477    1.3801 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9728   -1.8195   -0.0191 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2107   -1.1196   -1.2835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0266   -1.5293    1.0804 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0975    0.7286    1.9558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6744    0.8335    2.0413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7082    2.6651    0.3794 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0910    1.1690   -1.7931 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6888    2.0459    0.5974 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6153    3.3171   -1.5678 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3464    1.9367   -2.3990 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4788    3.3743   -0.2301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3251    1.6396   -1.4526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9905    1.6900    0.1868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1341   -0.5605    0.2466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2763   -2.0333   -1.6314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5009   -0.6194   -2.3640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2639   -0.8719   -1.8441 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  3  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3 19  1  0  0  0  0
  4  5  1  0  0  0  0
  4 12  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  6 23  1  0  0  0  0
  7  8  1  0  0  0  0
  7 24  1  0  0  0  0
  8  9  1  0  0  0  0
  8 25  1  0  0  0  0
  9 10  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 12  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 13  1  0  0  0  0
 12 31  1  0  0  0  0
 13 14  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 34  1  0  0  0  0
M  END
$$$$

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2022-04-02, 2480👍, 0💬