Molecule FYI-1001118

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A

Molecule Summary:

ID: FYI-1001118
SMILES: CC1CCC2C(C(=O)OC3C24C1CCC(O3)(OO4)C)C

Received at FYIcenter.com on: 2022-01-16

Molecule ID: FYI-1001118 Edit

Molecule Structure SMILES String: CC1CCC2C(C(=O)OC3C24C1CCC(O3)(OO4)C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1001118
FYIcenter.com

 20 23  0  0  0  0  0  0  0  0999 V2000
    5.4081    4.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3265    4.0714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2449    4.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1632    4.0714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1632    2.8224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0816    2.1979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0816    0.9490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.3245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0803    0.2765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2449    0.9490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1436    2.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3173    2.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2258    1.0816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8503    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4081    0.9490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3987    0.1299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4081    2.1979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2225    3.0306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4899    0.3245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8224    0.0000 C   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
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 11  5  1  0  0  0  0
 12 11  1  0  0  0  0
 12  2  1  0  0  0  0
 13 12  1  0  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 10  1  0  0  0  0
 17 15  1  0  0  0  0
 18 17  1  0  0  0  0
 18 11  1  0  0  0  0
 19 15  1  0  0  0  0
 20  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001118-3D
FYIcenter.com

 42 45  0  0  1  0  0  0  0  0999 V2000
    0.8085   -0.0168   -0.2199 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2386   -0.2528    0.2788 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5194   -1.7414    0.3920 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6317   -2.3571    1.4678 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0307   -1.7849    2.8266 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2664   -2.3540    4.0251 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.7468   -1.7530    5.3510 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3885   -2.2254    6.4240 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5605   -0.6603    5.3222 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1266   -0.1308    4.0944 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.1457   -0.2350    2.9244 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.6240    0.4630    1.6035 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.1569    1.9278    1.5001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7066    2.7840    2.6274 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5790    2.1550    4.0185 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5981    1.1967    4.2568 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2567    1.6211    4.2578 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9363    0.4397    3.3423 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9294    3.2725    5.0132 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4138   -3.8859    4.0816 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5657   -0.7152   -1.0303 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6935    0.9912   -0.6277 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0660   -0.1463    0.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9084    0.1422   -0.4994 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5785   -1.8937    0.6557 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3672   -2.2429   -0.5656 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8118   -3.4381    1.4429 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5665   -2.2145    1.2631 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0542   -2.1786    2.9280 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1995   -2.1130    3.9294 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0359   -0.7081    3.9273 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7208    0.4596    1.6301 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0628    1.9979    1.4894 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4718    2.3652    0.5485 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1656    3.7367    2.5879 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7634    2.9984    2.4120 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3398    4.1787    4.8615 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9953    3.5426    4.9019 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8039    2.9466    6.0470 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4702   -4.1766    4.1353 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9781   -4.3704    3.2003 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9115   -4.3157    4.9538 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2  3  1  0  0  0  0
  2 12  1  0  0  0  0
  2 24  1  0  0  0  0
  3  4  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4  5  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  1  0  0  0  0
  5 29  1  0  0  0  0
  6  7  1  0  0  0  0
  6 20  1  0  0  0  0
  6 30  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  0  0  0  0
 10 31  1  0  0  0  0
 11 12  1  0  0  0  0
 11 18  1  0  0  0  0
 12 13  1  0  0  0  0
 12 32  1  0  0  0  0
 13 14  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 15  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 19  1  0  0  0  0
 17 18  1  0  0  0  0
 19 37  1  0  0  0  0
 19 38  1  0  0  0  0
 19 39  1  0  0  0  0
 20 40  1  0  0  0  0
 20 41  1  0  0  0  0
 20 42  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-04-13, 1848👍, 0💬