Molecule FYI-1006242

A

Molecule Summary:

ID: FYI-1006242
Names:
InChIKey: ASXVMGWYMBILOY-UHFFFAOYSA-N
SMILES: C=CC(C)(C)c4cc(O)c3oc2c1OC(C)(C)C=Cc1ccc2c(=O)c3c4O

Received at FYIcenter.com on: 2023-12-05

Molecule ID: FYI-1006242 Edit

Molecule Structure InChIKey: ASXVMGWYMBILOY-UHFFFAOYSA-N

Molecule Structure SMILES String: C=CC(C)(C)c4cc(O)c3oc2c1OC(C)(C)C=Cc1ccc2c(=O)c3c4O

Download SDF Download SVG Structure in 2D SDF:

FYI-1006242
FYIcenter.com

 28 31  0  0  0  0  0  0  0  0999 V2000
    6.0622    3.5000    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
    7.2747    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    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
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    3.5000    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
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6120    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2120    7.5124    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
    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
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    5.6000    0.0000 O   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
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7249    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249    0.1876    0.0000 C   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  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  7  1  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11  5  1  0  0  0  0
 12  9  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 15  8  1  0  0  0  0
 16 14  1  0  0  0  0
 17 14  1  0  0  0  0
 18  2  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  1  1  0  0  0  0
 22 21  1  0  0  0  0
 23 19  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 23  1  0  0  0  0
 27 23  1  0  0  0  0
 28 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006242-3D
FYIcenter.com

 50 53  0     0  0  0  0  0  0999 V2000
   -3.3433    1.2286    0.0282 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7424    0.7400    0.0477 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1833   -2.1120    0.0171 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8815    2.9046    0.1272 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7444   -3.0667   -0.0410 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8816    0.1311    0.1006 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3923    0.2491    0.0856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7456    1.5666   -0.0068 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1946   -0.7443    0.0304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9629   -0.0851   -0.0054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5851   -0.3465    0.0061 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5845   -0.8873    0.0436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1322   -1.6658   -0.0249 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6122    0.5214    0.0585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8760   -1.1429   -0.0460 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4796   -0.6130    1.3442 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3593   -0.7069   -1.1306 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3165   -1.9222   -0.0136 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8145    1.5183    0.1140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7047    0.4017   -0.0376 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4260    1.6554    0.1002 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5473    1.5253    0.1479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3033   -0.8705   -0.0553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9518    2.4253   -1.2600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0142    2.4081    1.2463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0384   -2.7265   -0.0659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4082   -2.4623   -0.0759 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3904    2.0765   -0.7346 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1497   -0.1378    2.2763 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1687   -1.6612    1.3941 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5765   -0.6010    1.3298 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9365   -0.3131   -2.0632 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1129   -1.7698   -1.0777 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4522   -0.6765   -1.2254 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3870    2.4387    0.1351 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3728    2.1015    1.0588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0132   -1.6886   -0.0786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2741    3.2872   -1.2587 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.9797    2.7960   -1.3397 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.0448    2.7787    1.2797 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.7019   -3.7590   -0.0900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1041   -3.2976   -0.1075 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5203   -2.8182   -0.0116 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8144    3.0563   -0.5408 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6701    1.5888   -1.6601 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5939    3.5658    0.1557 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 10  1  0  0  0  0
  2 11  1  0  0  0  0
  2 14  1  0  0  0  0
  3 12  1  0  0  0  0
  3 47  1  0  0  0  0
  4 21  1  0  0  0  0
  4 50  1  0  0  0  0
  5 18  2  0  0  0  0
  6  7  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  6 22  1  0  0  0  0
  7 12  1  0  0  0  0
  7 19  2  0  0  0  0
  8 20  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 12  2  0  0  0  0
  9 14  1  0  0  0  0
  9 18  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  2  0  0  0  0
 11 13  2  0  0  0  0
 13 18  1  0  0  0  0
 13 26  1  0  0  0  0
 14 21  2  0  0  0  0
 15 23  1  0  0  0  0
 15 27  1  0  0  0  0
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 16 31  1  0  0  0  0
 17 32  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
 19 21  1  0  0  0  0
 19 35  1  0  0  0  0
 20 23  2  0  0  0  0
 20 36  1  0  0  0  0
 22 28  2  0  0  0  0
 22 37  1  0  0  0  0
 23 38  1  0  0  0  0
 24 39  1  0  0  0  0
 24 40  1  0  0  0  0
 24 41  1  0  0  0  0
 25 42  1  0  0  0  0
 25 43  1  0  0  0  0
 25 44  1  0  0  0  0
 26 27  2  0  0  0  0
 26 45  1  0  0  0  0
 27 46  1  0  0  0  0
 28 48  1  0  0  0  0
 28 49  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-12-17, 1715👍, 0💬