Molecule FYI-1006677

A

Molecule Summary:

ID: FYI-1006677
Names:
InChIKey: ZLVHCWPTRLJYOL-UHFFFAOYSA-N
SMILES: C=CC(C)(C)c3cc(O)c2oc1c(O)cccc1c(=O)c2c3O

Received at FYIcenter.com on: 2024-01-11

Molecule ID: FYI-1006677 Edit

Molecule Structure InChIKey: ZLVHCWPTRLJYOL-UHFFFAOYSA-N

Molecule Structure SMILES String: C=CC(C)(C)c3cc(O)c2oc1c(O)cccc1c(=O)c2c3O

Download SDF Download SVG Structure in 2D SDF:

FYI-1006677
FYIcenter.com

 23 25  0  0  0  0  0  0  0  0999 V2000
    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
    7.2746    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 O   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
    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
    9.6995    5.6000    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  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  2  0  0  0  0
  8  5  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  4  1  0  0  0  0
 12 11  1  0  0  0  0
 13  9  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 13  1  0  0  0  0
 17 13  1  0  0  0  0
 18  8  1  0  0  0  0
 19  2  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 22  1  1  0  0  0  0
 23 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006677-3D
FYIcenter.com

 39 41  0     0  0  0  0  0  0999 V2000
   -1.6165    1.3590    0.0324 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6449   -2.2365    0.0260 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4166    3.1459    0.1115 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9374   -2.6754   -0.0383 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1359    2.3519   -0.0001 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7649   -0.3871    0.1079 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3314    0.0326    0.0866 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3086   -0.9151    0.0461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0228   -0.4915    0.0275 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1946   -1.2324    1.3563 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0653   -1.3103   -1.1185 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0249    1.3934    0.1083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3343    0.8677    0.0490 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7015    0.8418    0.1527 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6939    1.8117    0.0896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1223   -1.4675   -0.0156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4880   -0.9215   -0.0329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6562    0.4627   -0.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5968   -1.7707   -0.0738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9438    1.0028   -0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6421    1.2052   -0.7284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8807   -1.2252   -0.0895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0541    0.1588   -0.0647 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6760   -2.1947    1.4088 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2708   -1.4447    1.3461 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9658   -0.6959    2.2855 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6066   -2.3002   -1.0629 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1416   -1.5044   -1.2091 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7348   -0.8424   -2.0541 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7668    2.1842    0.1287 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6446    1.4460    1.0602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4827   -2.8508   -0.0936 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8517   -2.7926   -0.0013 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2566    2.0788   -0.5367 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8196    0.6664   -1.6507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7471   -1.8795   -0.1212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0615    0.5663   -0.0776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5498    3.2571    0.0939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0905    2.5372   -0.0163 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 18  1  0  0  0  0
  2  8  1  0  0  0  0
  2 33  1  0  0  0  0
  3 15  1  0  0  0  0
  3 38  1  0  0  0  0
  4 16  2  0  0  0  0
  5 20  1  0  0  0  0
  5 39  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 14  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  8  9  2  0  0  0  0
  9 13  1  0  0  0  0
  9 16  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 15  1  0  0  0  0
 12 30  1  0  0  0  0
 13 15  2  0  0  0  0
 14 21  2  0  0  0  0
 14 31  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 22  2  0  0  0  0
 19 32  1  0  0  0  0
 20 23  2  0  0  0  0
 21 34  1  0  0  0  0
 21 35  1  0  0  0  0
 22 23  1  0  0  0  0
 22 36  1  0  0  0  0
 23 37  1  0  0  0  0
M  END
$$$$

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2024-01-24, 225👍, 0💬