Molecule FYI-1001549

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Molecule Summary:

ID: FYI-1001549
SMILES: C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O

Received at FYIcenter.com on: 2022-09-03

Molecule ID: FYI-1001549 Edit

Molecule Structure SMILES String: C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1001549
FYIcenter.com

 25 26  0  0  0  0  0  0  0  0999 V2000
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    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
    2.4249    2.8000    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
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    6.3000    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  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  6  1  0  0  0  0
 11  4  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 21 16  1  0  0  0  0
 22 19  1  0  0  0  0
 23 18  1  0  0  0  0
 24  3  1  0  0  0  0
 25  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001549-3D
FYIcenter.com

 43 44  0  0  1  0  0  0  0  0999 V2000
    0.7037    1.2037   -0.1094 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4929   -0.0659    0.2170 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7656   -1.3147   -0.3055 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.6644   -1.4415    0.2774 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.4565   -0.1661   -0.0872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7769    1.1616    0.3245 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.9526    1.5098    1.8420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5478    0.8552    2.7747 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5962    2.6844    2.0588 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4594    2.2380   -0.3845 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7087   -1.5574    1.7144 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4201   -2.7358    2.3026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1699   -3.7852    1.7267 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4097   -2.5525    3.7687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0813   -3.5802    4.5717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0588   -3.5254    6.0433 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8506   -4.3336    6.7488 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8247   -4.3502    8.1423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0984   -3.5774    8.8395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0047   -2.7782    8.1623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9861   -2.7551    6.7646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1293   -3.6095   10.2039 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6811   -5.1254    8.8779 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5680   -2.4712   -0.0835 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7153   -0.1933    1.6159 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7489    1.3564   -1.2008 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1939    2.0783    0.3313 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4895   -0.0121   -0.2322 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6806   -1.2325   -1.3963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1683   -2.3171   -0.1533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4586   -0.2099    0.3537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6023   -0.1591   -1.1779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8612    3.0985    1.2041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3308    2.0939   -1.3383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583   -1.5647    4.1402 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1879   -4.5404    4.1344 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5666   -4.9433    6.2063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7310   -2.1892    8.7133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7220   -2.1428    6.2492 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5819   -4.2334   10.4505 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2474   -5.6221    8.2625 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6182   -2.6044    0.8827 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0370    0.6546    1.9693 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  2  3  1  0  0  0  0
  2 25  1  0  0  0  0
  2 28  1  0  0  0  0
  3  4  1  0  0  0  0
  3 24  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  1  0  0  0  0
  5 31  1  0  0  0  0
  5 32  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  3  0  0  0
 14 35  1  0  0  0  0
 15 16  1  0  0  0  0
 15 36  1  0  0  0  0
 16 17  2  0  0  0  0
 16 21  1  0  0  0  0
 17 18  1  0  0  0  0
 17 37  1  0  0  0  0
 18 19  2  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  2  0  0  0  0
 20 38  1  0  0  0  0
 21 39  1  0  0  0  0
 22 40  1  0  0  0  0
 23 41  1  0  0  0  0
 24 42  1  0  0  0  0
 25 43  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-10-01, 2182👍, 0💬