Molecule FYI-1006965

A

Molecule Summary:

ID: FYI-1006965
Names:
InChIKey: OXGUCUVFOIWWQJ-HQBVPOQASA-N
SMILES: C[C@@H]4O[C@@H](Oc3c(c1ccc(O)c(O)c1)oc2cc(O)cc(O)c2c3=O)[C@H](O)[C@H](O)[C@H]4O

Received at FYIcenter.com on: 2024-01-24

Molecule ID: FYI-1006965 Edit

Molecule Structure InChIKey: OXGUCUVFOIWWQJ-HQBVPOQASA-N

Molecule Structure SMILES String: C[C@@H]4O[C@@H](Oc3c(c1ccc(O)c(O)c1)oc2cc(O)cc(O)c2c3=O)[C@H](O)[C@H](O)[C@H]4O

Download SDF Download SVG Structure in 2D SDF:

FYI-1006965
FYIcenter.com

 32 35  0  0  1  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  2  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
  6 12  1  0  0  0  0
 12 13  2  0  0  0  0
 11 14  1  0  0  0  0
 15 14  1  6  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  1  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 15 21  1  0  0  0  0
 21 22  1  1  0  0  0
 20 23  1  1  0  0  0
 19 24  1  6  0  0  0
 10 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 25 30  2  0  0  0  0
 29 31  1  0  0  0  0
 28 32  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006965-3D
FYIcenter.com

 52 55  0     1  0  0  0  0  0999 V2000
   -1.2404   -2.2947    1.0038 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8127   -0.6603   -0.6627 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0244   -1.6449   -0.5647 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6928   -4.1213   -1.0549 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5978   -0.7901    1.6666 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0360    1.6010   -0.0630 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3605   -2.3907   -0.5264 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9149   -2.8634   -0.2296 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7011    0.9149    0.4824 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5262    3.9040    1.9812 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1674    5.1288   -0.4303 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6058   -1.7853   -0.5424 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.2466   -3.1941   -0.0685 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9920   -0.7259    0.3745 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.7286   -3.3141    0.1258 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4928   -0.9601    0.5513 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3348   -4.6557    0.7378 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4655   -0.2003   -0.4312 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7586    1.1023   -0.2643 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5661   -1.1929   -0.3831 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9176   -0.6588   -0.1556 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0821    0.7167   -0.0072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2703    2.1566   -0.3043 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0215   -1.5126   -0.0906 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3540    1.2481    0.2072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9226    2.5404    0.8678 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5929    2.7716   -1.5145 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2926   -0.9786    0.1244 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4588    0.3989    0.2730 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7957   -3.2682   -0.1521 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3465    0.1875    0.4995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1778    3.3711    2.7164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5129    5.2658    0.4690 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2 16  1  0  0  0  0
  2 18  1  0  0  0  0
  3 12  1  0  0  0  0
  3 41  1  0  0  0  0
  4 13  1  0  0  0  0
  4 42  1  0  0  0  0
  5 14  1  0  0  0  0
  5 43  1  0  0  0  0
  6 19  1  0  0  0  0
  6 22  1  0  0  0  0
  7 20  2  0  0  0  0
  8 24  1  0  0  0  0
  8 49  1  0  0  0  0
  9 29  1  0  0  0  0
  9 50  1  0  0  0  0
 10 30  1  0  0  0  0
 10 51  1  0  0  0  0
 11 32  1  0  0  0  0
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 15 36  1  0  0  0  0
 16 37  1  0  0  0  0
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 17 39  1  0  0  0  0
 17 40  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 23  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 24  2  0  0  0  0
 22 25  2  0  0  0  0
 23 26  2  0  0  0  0
 23 27  1  0  0  0  0
 24 28  1  0  0  0  0
 25 29  1  0  0  0  0
 25 44  1  0  0  0  0
 26 30  1  0  0  0  0
 26 45  1  0  0  0  0
 27 31  2  0  0  0  0
 27 46  1  0  0  0  0
 28 29  2  0  0  0  0
 28 47  1  0  0  0  0
 30 32  2  0  0  0  0
 31 32  1  0  0  0  0
 31 48  1  0  0  0  0
M  END
$$$$

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2024-01-31, 1075👍, 0💬