Molecule FYI-1001171

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A

Molecule Summary:

ID: FYI-1001171
SMILES: C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O

Received at FYIcenter.com on: 2022-02-14

Molecule ID: FYI-1001171 Edit

Molecule Structure SMILES String: C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1001171
FYIcenter.com

 21 23  0  0  1  0  0  0  0  0999 V2000
    1.2124    7.7000    0.0000 C   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
    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
    3.6373    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   10.5000    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
    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
    2.4249    1.4000    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
    3.6373    3.5000    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
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    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  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  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
 10  5  1  0  0  0  0
 10  1  1  0  0  0  0
 11  9  1  0  0  0  0
 12  7  1  0  0  0  0
  3 13  1  6  0  0  0
 14 13  2  0  0  0  0
 15 14  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 13  1  0  0  0  0
 19 16  1  0  0  0  0
 20 15  1  0  0  0  0
  2 21  1  6  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001171-3D
FYIcenter.com

 35 37  0  0  1  0  0  0  0  0999 V2000
   -1.2776    1.5474    0.0457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4527    0.6897   -0.4155 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3712   -0.6620    0.3190 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1915   -1.3889   -0.0798 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0297   -0.6561   -0.0039 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1586   -1.3873   -0.0471 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3765   -0.7147   -0.0058 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4284    0.6716    0.0780 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2393    1.3929    0.1113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0009    0.7463    0.0507 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2634    2.7570    0.1913 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5632   -1.3856   -0.0478 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6308   -1.4850    0.0852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7498   -2.3725   -0.9977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9545   -3.0368   -1.2163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0398   -2.8333   -0.3684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9431   -1.9707    0.7099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7414   -1.2958    0.9349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2215   -3.4763   -0.6033 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1265   -3.8922   -2.2701 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3954    0.5313   -1.8452 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4596    1.9051    1.0667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1755    2.4126   -0.6191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3903    1.2108   -0.1957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2940   -0.4988    1.4043 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1161   -2.4700   -0.1114 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3940    1.1659    0.1099 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1883    3.0557    0.1814 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3828   -2.3386   -0.1036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9080   -2.5211   -1.6668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7984   -1.8124    1.3599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6826   -0.6047    1.7737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0553   -4.0002   -1.4122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3145   -3.8717   -2.8052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5887    0.0234   -2.0423 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 10  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2  3  1  0  0  0  0
  2 21  1  0  0  0  0
  2 24  1  1  0  0  0
  3  4  1  0  0  0  0
  3 13  1  0  0  0  0
  3 25  1  1  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6 26  1  0  0  0  0
  7  8  2  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  8 27  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 14  2  0  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 14 30  1  0  0  0  0
 15 16  2  0  0  0  0
 15 20  1  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 17 31  1  0  0  0  0
 18 32  1  0  0  0  0
 19 33  1  0  0  0  0
 20 34  1  0  0  0  0
 21 35  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-04-21, 1069👍, 0💬