Molecule FYI-1004310

A

Molecule Summary:

ID: FYI-1004310
Names:
InChIKey: QCKHLGQHPZOJEN-GQCTYLIASA-N
SMILES: O=c2c(/C=C/c1ccc(O)c(O)c1)coc3cccc(O)c23

Received at FYIcenter.com on: 2023-08-29

Molecule ID: FYI-1004310 Edit

Molecule Structure InChIKey: QCKHLGQHPZOJEN-GQCTYLIASA-N

Molecule Structure SMILES String: O=c2c(/C=C/c1ccc(O)c(O)c1)coc3cccc(O)c23

Download SDF Download SVG Structure in 2D SDF:

FYI-1004310
FYIcenter.com

 22 24  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
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    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    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    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
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  2 10  1  0  0  0  0
  1  7  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 17 19  1  0  0  0  0
 16 20  1  0  0  0  0
  7 21  2  0  0  0  0
  6 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004310-3D
FYIcenter.com

 34 36  0     0  0  0  0  0  0999 V2000
   -2.5486   -1.9645   -0.4978 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2676    2.4304    0.6089 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7129    1.9618    0.2363 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0975   -1.3354    1.3001 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9118    0.8584   -0.1997 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3471    0.2598    0.0552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5660   -1.0926   -0.2056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8970   -0.1964   -0.3025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9687    0.7846    0.0178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4229    1.1024    0.3474 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4800    0.2164   -0.3624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8614   -1.6101   -0.1754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2700   -1.4634   -0.5288 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9227   -0.2169   -0.0886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7177    0.5824    0.3771 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4994   -0.5962   -0.0518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9366   -0.7708    0.1164 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8429   -0.9633    0.6299 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3132    0.8795   -0.8403 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1901   -0.6033    0.5955 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6602    1.2394   -0.8747 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5987    0.4979   -0.1569 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6410    1.2492   -0.6545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0405   -2.6626   -0.3774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5960   -2.2711   -0.7870 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3149   -1.6141    0.2848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5633    1.2268    0.6030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9460   -1.1712    0.1405 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5336   -1.8224    1.2202 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6225    1.4714   -1.4322 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9663    2.0964   -1.4688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3318    2.6788    0.5607 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9783   -0.9457    1.1621 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0068    1.6416   -0.7685 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 13  1  0  0  0  0
  2 10  1  0  0  0  0
  2 32  1  0  0  0  0
  3  9  2  0  0  0  0
  4 20  1  0  0  0  0
  4 33  1  0  0  0  0
  5 22  1  0  0  0  0
  5 34  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 12  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 13  2  0  0  0  0
 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
 11 23  1  0  0  0  0
 12 17  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 16  1  0  0  0  0
 14 18  2  0  0  0  0
 14 19  1  0  0  0  0
 15 17  2  0  0  0  0
 15 27  1  0  0  0  0
 16 26  1  0  0  0  0
 17 28  1  0  0  0  0
 18 20  1  0  0  0  0
 18 29  1  0  0  0  0
 19 21  2  0  0  0  0
 19 30  1  0  0  0  0
 20 22  2  0  0  0  0
 21 22  1  0  0  0  0
 21 31  1  0  0  0  0
M  END
$$$$

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2023-09-07, 2629👍, 0💬