Molecule FYI-1001180

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Molecule Summary:

ID: FYI-1001180
SMILES: OC(=O)\\C(=C\\C=C(\\CCC(=O)c1c(O)cc(O)cc1O/C=O)\\O

Received at FYIcenter.com on: 2022-02-21

Molecule ID: FYI-1001180 Edit

Molecule Structure SMILES String: OC(=O)C(=CC=C(CCC(=O)c1c(O)cc(O)cc1O/C=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1001180
FYIcenter.com

 21 22  0  0  0  0  0  0  0  0999 V2000
   12.1244    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    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    3.5000    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
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  4  2  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
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 14  1  0  0  0  0
 17 16  1  0  0  0  0
 18 16  2  0  0  0  0
 18 11  1  0  0  0  0
 19  6  1  0  0  0  0
 20 19  1  0  0  0  0
 21 19  2  0  0  0  0
 21  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001180-3D
FYIcenter.com

 37 37  0  0  0  0  0  0  0  0999 V2000
   12.7657    0.9618    1.0689 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3822    1.3837   -0.1532 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9673    2.2603   -0.7626 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1916    0.6596   -0.6455 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7203    0.9538   -1.8662 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6084    0.2913   -2.5124 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3230    0.2675   -2.1185 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7644    0.9449   -0.8980 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8712    0.0834   -0.0065 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5213   -1.0766    0.7508 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7265   -1.3099    0.6971 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6233   -1.9550    1.5850 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5105   -1.4336    2.2701 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2213   -0.0987    2.3245 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6462   -2.2467    3.0086 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8795   -3.6102    3.0631 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0439   -4.4478    3.7383 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9802   -4.1633    2.4250 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8677   -3.3378    1.7148 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9580   -3.9222    1.0291 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7087   -4.9242    1.6396 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5774   -5.3916    2.7619 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3511   -0.3227   -2.9106 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2059    0.2611    1.4519 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7406   -0.1010   -0.0272 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2290    1.6963   -2.4791 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8802   -0.1640   -3.4606 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1452    1.7804   -1.2580 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5447    1.4062   -0.2857 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0242   -0.3092   -0.5812 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4971    0.7937    0.7322 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6851    0.1123    1.5383 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8095   -1.7988    3.5349 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3326   -3.9293    4.1498 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1353   -5.2370    2.4944 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4542   -5.2705    0.9117 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7660   -0.6458   -3.7296 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 24  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  3  0  0  0
  4 25  1  0  0  0  0
  5  6  1  0  0  0  0
  5 26  1  0  0  0  0
  6  7  2  3  0  0  0
  6 27  1  0  0  0  0
  7  8  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 10  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 19  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 32  1  0  0  0  0
 15 16  1  0  0  0  0
 15 33  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 34  1  0  0  0  0
 18 19  1  0  0  0  0
 18 35  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 36  1  0  0  0  0
 23 37  1  0  0  0  0
M  END
$$$$

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2022-04-21, 2768👍, 0💬