Molecule FYI-1003862

A

Molecule Summary:

ID: FYI-1003862
Names:
InChIKey: WFBVRQLHXBCQDI-GELKCUNVSA-N
SMILES: C=C4CC(=O)C/C=C\\C3=CCC(CC2=CC=C1OCO[C@H]1C2)=C[C@H]3C4

Received at FYIcenter.com on: 2023-08-01

Molecule ID: FYI-1003862 Edit

Molecule Structure InChIKey: WFBVRQLHXBCQDI-GELKCUNVSA-N

Molecule Structure SMILES String: C=C4CC(=O)C/C=C\C3=CCC(CC2=CC=C1OCO[C@H]1C2)=C[C@H]3C4

Download SDF Download SVG Structure in 2D SDF:

FYI-1003862
FYIcenter.com

 25 28  0  0  1  0  0  0  0  0999 V2000
    6.0300    0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1026    1.6694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3150    0.9694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6937    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3937    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5936    2.2849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5936    3.6849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6937    4.7575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3150    5.0005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3150    6.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1026    7.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8902    6.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6777    7.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    6.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2529    7.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0403    6.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0403    5.0005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694    2.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    2.9312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2529    4.3005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    5.0005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8902    5.0005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1026    4.3005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6238    2.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  6  0  0  0
 21 17  1  0  0  0  0
 22 21  1  0  0  0  0
 22 14  1  0  0  0  0
 23 12  2  0  0  0  0
 24 23  1  6  0  0  0
 24  9  1  0  0  0  0
 25 24  1  0  0  0  0
 25  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003862-3D
FYIcenter.com

 49 52  0  0  1  0  0  0  0  0999 V2000
    0.0000    0.0000    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
    0.0000    0.0000    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
    0.0000    0.0000    0.0000 O   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
    0.0000    0.0000    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
    0.0000    0.0000    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
    0.0000    0.0000    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
    0.0000    0.0000    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
    0.0000    0.0000    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
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   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
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  1  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
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  1  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
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  2 25  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  1  0  0  0
  6 30  1  0  0  0  0
  6 31  1  0  0  0  0
  7  8  2  0  0  0  0
  7 32  1  6  0  0  0
  8  9  1  1  0  0  0
  8 33  1  6  0  0  0
  9 24  1  6  0  0  0
  9 10  2  0  0  0  0
 10 11  1  6  0  0  0
 10 34  1  1  0  0  0
 11 12  1  1  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 13  1  6  0  0  0
 12 23  2  0  0  0  0
 13 14  1  1  0  0  0
 13 37  1  0  0  0  0
 13 38  1  0  0  0  0
 14 22  1  6  0  0  0
 14 15  2  0  0  0  0
 15 16  1  6  0  0  0
 15 39  1  1  0  0  0
 16 17  2  0  0  0  0
 16 40  1  1  0  0  0
 17 21  1  6  0  0  0
 17 18  1  1  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 41  1  0  0  0  0
 19 42  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 43  1  0  0  0  0
 22 44  1  0  0  0  0
 22 45  1  0  0  0  0
 23 24  1  1  0  0  0
 23 46  1  6  0  0  0
 24 25  1  0  0  0  0
 24 47  1  0  0  0  0
 25 48  1  0  0  0  0
 25 49  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-08-09, 1328👍, 0💬