Molecule FYI-1001936

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A

Molecule Summary:

ID: FYI-1001936
SMILES: C1=CC(=CC=C1C2=C(C(=O)C3=C(O2)C=C(C=C3)O)O)O

Received at FYIcenter.com on: 2023-01-02

Molecule ID: FYI-1001936 Edit

Molecule Structure SMILES String: C1=CC(=CC=C1C2=C(C(=O)C3=C(O2)C=C(C=C3)O)O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1001936
FYIcenter.com

 19 20  0  0  1  0  0  0  0  0999 V2000
    8.4871    3.5000    0.0000 O   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
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 O   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
    3.6373    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
    6.0622    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
    4.8498    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 O   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 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6000    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
    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 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  6  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  1  0  0  0  0
  8  3  1  0  0  0  0
  8  9  1  1  0  0  0
  7 10  1  6  0  0  0
  6 11  1  1  0  0  0
  5 12  1  6  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 13  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 18 12  1  0  0  0  0
 19 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001936-3D
FYIcenter.com

 30 32  0  0  0  0  0  0  0  0999 V2000
   -1.9715    0.6487    0.4993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6776    1.1575    0.6918 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2493    0.4278    1.4274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1032   -0.8032    1.9762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3917   -1.3014    1.7774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3579   -0.5850    1.0472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6977   -1.1589    0.7934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3140   -2.0151    1.6342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5212   -2.7039    1.1283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8733   -3.7964    1.5615 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3178   -1.9067    0.2108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6692   -0.8881   -0.4876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3036   -0.7304   -0.4029 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4209    0.0178   -1.2239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8160   -0.0837   -1.1882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4593   -1.1005   -0.4809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7051   -2.0422    0.2051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6151    0.8260   -1.8168 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9312   -2.2714    2.9320 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5148    0.8646    1.6383 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6746    1.2366   -0.0877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4086    2.1117    0.2512 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6206   -1.3748    2.5486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6193   -2.2805    2.1918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9281    0.8215   -1.7601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5449   -1.1378   -0.4392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1871   -2.8247    0.7863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0571    1.4638   -2.2915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7009   -2.7168    3.3424 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6241    1.7228    1.1870 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  1 21  1  0  0  0  0
  2  3  1  0  0  0  0
  2 22  1  0  0  0  0
  3  4  2  0  0  0  0
  3 20  1  0  0  0  0
  4  5  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  2  0  0  0  0
  5 24  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
  8 19  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 17  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 25  1  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 16 26  1  0  0  0  0
 17 27  1  0  0  0  0
 18 28  1  0  0  0  0
 19 29  1  0  0  0  0
 20 30  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-01-08, 1418👍, 0💬