Molecule FYI-1015827

A

Molecule Summary:

ID: FYI-1015827
Names:
InChIKey: YPGQLRNEHVQEOZ-UHFFFAOYSA-N
SMILES: Cc5ccc(O)c(C4CC3C2CC(c1cc(C)cc(C(C)(C)C)c1O)C(C2)C3C4)c5

Received at FYIcenter.com on: 2025-10-17

Molecule ID: FYI-1015827 Edit

Molecule Structure InChIKey: YPGQLRNEHVQEOZ-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc5ccc(O)c(C4CC3C2CC(c1cc(C)cc(C(C)(C)C)c1O)C(C2)C3C4)c5

Download SDF Download SVG Structure in 2D SDF:

FYI-1015827
FYIcenter.com

 30 34  0  0  0  0  0  0  0  0999 V2000
    3.6365    1.3990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6365    4.1969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8480    3.4975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8480    2.0985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6367    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6367    5.5959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0596    4.1969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2712    3.4975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4827    4.1969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4827    5.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2711    6.2954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0596    5.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8132    3.7647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6355    4.8964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8132    6.0283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0645    4.9118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0054    5.1802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9361    4.1357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3060    4.4194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7452    5.7476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8145    6.7922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4446    6.5085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5140    7.5530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2367    3.3749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.1974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.5974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  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
  5  6  2  0  0  0  0
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 12 17  1  0  0  0  0
 11 15  1  0  0  0  0
 13 18  1  0  0  0  0
 18 10  1  0  0  0  0
 16 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 24 25  1  0  0  0  0
 21 26  1  0  0  0  0
  3 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015827-3D
FYIcenter.com

 66 70  0  0  1  0  0  0  0  0999 V2000
   -2.2024   -2.1323   -0.9011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1585   -1.0819   -0.6683 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1866   -1.4169   -0.5364 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1435   -0.4169   -0.3334 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7471    0.9192   -0.2817 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6909    1.8914   -0.0810 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5977    1.2883   -0.4179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0350    2.7401   -0.3333 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.8519    3.2384   -1.5416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3186    3.3899   -1.1122 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.8710    4.8534   -1.2461 C   0  0  3  0  0  0  0  0  0  0  0  0
   -5.3774    5.0103   -0.9751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5694    4.3135    0.4058 C   0  0  3  0  0  0  0  0  0  0  0  0
   -6.3432    2.9777    0.3314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8562    2.5646   -0.9076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8165    1.5800   -1.0276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4818    1.3379   -2.3481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1284    0.8212    0.0944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4953    1.0135    1.3411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7175   -0.0756    2.4283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6516   -1.2362    1.9568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3672   -0.7546    2.7479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3717    0.4640    3.7154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6508    2.1617    1.4503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0650    2.5418    2.6259 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0799    4.3545    0.9236 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.4081    5.4685    0.0649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3415    3.1170    0.4084 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.8953    3.0150    0.9010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5419    0.2647   -0.6035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7733   -3.1388   -0.8762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6634   -1.9840   -1.8829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9756   -2.0765   -0.1278 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5088   -2.4562   -0.5813 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1784   -0.6998   -0.2307 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5626    1.4671   -0.0254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1395    3.3703   -0.2672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7685    2.5643   -2.4021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4557    4.2045   -1.8741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9476    2.6747   -1.6541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5650    5.3596   -2.1645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0036    4.7227   -1.8137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6206    6.0781   -0.8565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1735    4.9855    1.0323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5448    3.0112   -1.8404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2630    2.1491   -3.0513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5678    1.3134   -2.2170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1366    0.3976   -2.7851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8612    0.0362   -0.0667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2524   -1.7441    1.0695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6603   -0.8729    1.7229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7657   -2.0041    2.7304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9232   -1.1837    1.8406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4976   -1.5736    3.4654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6323   -0.0681    3.1751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3421    0.9255    3.5003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7648    1.1998    4.2439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5515   -0.3540    4.4272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2251    1.8761    3.3068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9846    4.5293    1.9977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3182    5.5320    0.1226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8102    6.4727    0.2398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8602    2.1870    0.6545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8047    2.2367    1.6689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5644    3.9399    1.3882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5960    0.5159   -0.6963 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  2  3  1  0  0  0  0
  2 30  2  0  0  0  0
  3  4  2  0  0  0  0
  3 34  1  0  0  0  0
  4  5  1  0  0  0  0
  4 35  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6 36  1  0  0  0  0
  7  8  1  0  0  0  0
  7 30  1  0  0  0  0
  8  9  1  0  0  0  0
  8 29  1  0  0  0  0
  8 37  1  0  0  0  0
  9 10  1  0  0  0  0
  9 38  1  0  0  0  0
  9 39  1  0  0  0  0
 10 11  1  0  0  0  0
 10 28  1  0  0  0  0
 10 40  1  0  0  0  0
 11 12  1  0  0  0  0
 11 27  1  0  0  0  0
 11 41  1  0  0  0  0
 12 13  1  0  0  0  0
 12 42  1  0  0  0  0
 12 43  1  0  0  0  0
 13 14  1  0  0  0  0
 13 26  1  0  0  0  0
 13 44  1  0  0  0  0
 14 15  1  0  0  0  0
 14 24  2  0  0  0  0
 15 16  2  0  0  0  0
 15 45  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 46  1  0  0  0  0
 17 47  1  0  0  0  0
 17 48  1  0  0  0  0
 18 19  2  0  0  0  0
 18 49  1  0  0  0  0
 19 20  1  0  0  0  0
 19 24  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 50  1  0  0  0  0
 21 51  1  0  0  0  0
 21 52  1  0  0  0  0
 22 53  1  0  0  0  0
 22 54  1  0  0  0  0
 22 55  1  0  0  0  0
 23 56  1  0  0  0  0
 23 57  1  0  0  0  0
 23 58  1  0  0  0  0
 24 25  1  0  0  0  0
 25 59  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 60  1  0  0  0  0
 27 61  1  0  0  0  0
 27 62  1  0  0  0  0
 28 29  1  0  0  0  0
 28 63  1  0  0  0  0
 29 64  1  0  0  0  0
 29 65  1  0  0  0  0
 30 66  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-10-24, 213👍, 0💬