Molecule FYI-1009446

A

Molecule Summary:

ID: FYI-1009446
Names:
InChIKey: NNYQBHMAYHOTPS-UHFFFAOYSA-N
SMILES: O=C2c1cc(O)cc(O)c1C(=O)C3C=C(O)C=C(O)C23

Received at FYIcenter.com on: 2024-05-10

Molecule ID: FYI-1009446 Edit

Molecule Structure InChIKey: NNYQBHMAYHOTPS-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C2c1cc(O)cc(O)c1C(=O)C3C=C(O)C=C(O)C23

Download SDF Download SVG Structure in 2D SDF:

FYI-1009446
FYIcenter.com

 20 22  0  0  0  0  0  0  0  0999 V2000
    9.6995    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   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
    7.2747    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    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
    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
    2.4249    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    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
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    5.6000    0.0000 O   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  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  6  2  0  0  0  0
  8  2  1  0  0  0  0
  9  5  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 13  2  0  0  0  0
 16 15  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 12  1  0  0  0  0
 19  4  1  0  0  0  0
 20 19  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009446-3D
FYIcenter.com

 30 32  0  0  1  0  0  0  0  0999 V2000
    8.6561    4.6104   -1.9621 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1569    3.5343   -1.6697 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0173    2.4081   -1.1394 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4130    2.5186   -1.1651 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1846    1.4639   -0.6794 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5482    1.5138   -0.6726 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6005    0.3082   -0.1663 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2145    0.2002   -0.1227 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6426   -0.8977    0.4495 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4207    1.2413   -0.6077 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9386    1.1777   -0.5183 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3073    0.1349   -0.6186 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3090    2.5465   -0.4335 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8189    2.5810   -0.1473 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3440    3.8366   -0.2612 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7314    4.7397    0.7233 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5091    4.4286   -1.5832 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6488    4.2149   -2.2685 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8592    4.7579   -3.5171 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6658    3.1785   -1.8067 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.8803    3.4187   -1.5584 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8392    2.3689   -1.0317 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2370   -0.4786    0.2158 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3105   -1.5785    0.6250 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8045    3.0648    0.4046 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3152    1.7933   -0.7143 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9973    5.5738    0.2963 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6918    5.0409   -1.9501 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1505    5.3971   -3.7105 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6369    2.4110   -2.5978 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 20  1  0  0  0  0
  3  4  1  0  0  0  0
  3 10  2  0  0  0  0
  4  5  2  0  0  0  0
  4 21  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6 22  1  0  0  0  0
  7  8  2  0  0  0  0
  7 23  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 24  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 20  1  0  0  0  0
 13 25  1  0  0  0  0
 14 15  2  3  0  0  0
 14 26  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 27  1  0  0  0  0
 17 18  2  0  0  0  0
 17 28  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 29  1  0  0  0  0
 20 30  1  0  0  0  0
M  END
$$$$

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2024-05-15, 1164👍, 0💬