Molecule FYI-1012149

A

Molecule Summary:

ID: FYI-1012149
Names:
InChIKey: WCQMIZTZMRUYPY-ZDJLAWDKSA-N
SMILES: O=C3C=C([C@H]2Oc1cc(O)cc(O)c1C[C@H]2O)[C@@H]5[C@@]3(O)C(=O)C4=C(O)C(=O)C(O)=C[C@@]45[C@H]7Oc6cc(O)cc(O)c6C[C@H]7OC(=O)c8cc(O)c(O)c(O)c8

Received at FYIcenter.com on: 2024-08-16

Molecule ID: FYI-1012149 Edit

Molecule Structure InChIKey: WCQMIZTZMRUYPY-ZDJLAWDKSA-N

Molecule Structure SMILES String: O=C3C=C([C@H]2Oc1cc(O)cc(O)c1C[C@H]2O)[C@@H]5[C@@]3(O)C(=O)C4=C(O)C(=O)C(O)=C[C@@]45[C@H]7Oc6cc(O)cc(O)c6C[C@H]7OC(=O)c8cc(O)c(O)c(O)c8

Download SDF Download SVG Structure in 2D SDF:

FYI-1012149
FYIcenter.com

 55 62  0  0  1  0  0  0  0  0999 V2000
   10.3104    7.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6111    8.0467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2186    8.1771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6315    6.8074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4480    5.6116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8849    4.3973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7074    3.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0989    3.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6679    4.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8371    5.9544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0595    4.8359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1382    1.9870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3783    9.2177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8106   10.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6787   11.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6787   12.7700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5467   10.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9791    9.2177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8471    8.3952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7008    7.0037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4226    6.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2906    7.2570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0123    6.6879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4369    8.6485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7150    9.2177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1475   10.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3251   11.6804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3049    9.4709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2762    5.0430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0588    7.6956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0588    6.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2705    5.5968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5199    6.3325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6027    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9058    6.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9058    7.6956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8859    8.4930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5454    7.5940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2184    8.3573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1175    8.3952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6895    4.1997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8471    5.5968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8471    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0588    3.4980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6353    3.4980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6353    2.0988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4236    1.3992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2118    2.0988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2118    3.4980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4236    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4236    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1142   11.8791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1613    9.5101    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 15  1  0  0  0  0
 18 17  1  0  0  0  0
 18 13  1  1  0  0  0
 19 18  1  0  0  0  0
 19 20  1  1  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 22  1  0  0  0  0
 25 24  2  0  0  0  0
 25 19  1  0  0  0  0
 26 25  1  0  0  0  0
 26 17  1  0  0  0  0
 27 26  2  0  0  0  0
 28 24  1  0  0  0  0
 29 21  1  0  0  0  0
 30 19  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  2  0  0  0  0
 35 34  1  0  0  0  0
 36 35  2  0  0  0  0
 37 36  1  0  0  0  0
 38 37  2  0  0  0  0
 38 33  1  0  0  0  0
 39 38  1  0  0  0  0
 30 39  1  1  0  0  0
 40 36  1  0  0  0  0
 41 34  1  0  0  0  0
 31 42  1  1  0  0  0
 43 42  1  0  0  0  0
 44 43  2  0  0  0  0
 45 43  1  0  0  0  0
 46 45  2  0  0  0  0
 47 46  1  0  0  0  0
 48 47  2  0  0  0  0
 49 48  1  0  0  0  0
 50 49  2  0  0  0  0
 50 45  1  0  0  0  0
 51 49  1  0  0  0  0
 52 48  1  0  0  0  0
 53 47  1  0  0  0  0
 17 54  1  6  0  0  0
  2 55  1  6  0  0  0
M  END
$$$$

Molecule Structure in 3D: Not available

✍: FYIcenter.com

2024-09-12, 1012👍, 0💬