Molecule FYI-1014072

A

Molecule Summary:

ID: FYI-1014072
Names:
InChIKey: MEHHPFQKXOUFFV-MHORFTMASA-N
SMILES: C[C@]34C=CC2=C1CCC(=O)C=C1CC[C@@H]2[C@H]3CC[C@@H]4O

Received at FYIcenter.com on: 2025-02-27

Molecule ID: FYI-1014072 Edit

Molecule Structure InChIKey: MEHHPFQKXOUFFV-MHORFTMASA-N

Molecule Structure SMILES String: C[C@]34C=CC2=C1CCC(=O)C=C1CC[C@@H]2[C@H]3CC[C@@H]4O

Download SDF Download SVG Structure in 2D SDF:

FYI-1014072
FYIcenter.com

 20 23  0  0  1  0  0  0  0  0999 V2000
    8.8863    2.8543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6739    2.1543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5276    3.5466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2485    4.1162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1159    3.2932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8370    3.8626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6906    5.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4117    5.8244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2790    5.0015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4253    3.6092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7043    3.0397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8507    1.6474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1296    1.0780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2622    1.9009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5413    1.3314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9739    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3739    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8065    1.3314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1380    1.7640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  3  2  1  0  0  0  0
  4  3  2  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  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
 12  6  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  1  0  0  0
 15  5  1  0  0  0  0
 16 15  1  0  0  0  0
 16  2  1  0  0  0  0
 16 17  1  6  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 19  2  1  0  0  0  0
 19 20  1  1  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014072-3D
FYIcenter.com

 42 45  0     1  0  0  0  0  0999 V2000
    4.7750   -0.9274    0.8263 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6411   -0.1216   -0.5301 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7920    0.6191   -0.7224 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6286   -0.6469   -0.3847 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6071    0.8372    0.2602 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6347   -0.1041    0.6505 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8260    1.7648   -0.6918 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0184    1.2776    0.1318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2575   -0.4251    0.3745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2218    2.0742   -0.1417 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8057   -1.7606    0.2110 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3122   -1.1849   -1.6586 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5065   -1.6556    0.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6133   -0.3890    0.3923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333    2.1243    0.6303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3387    0.8864    0.3429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5168   -1.6028    0.4974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6479    0.9804    0.0583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6983   -1.5253   -0.4617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4375   -0.2207   -0.3035 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3749    0.5401   -1.7365 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0120    1.0334    1.2642 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1557    0.0015    1.6327 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4347    2.6994   -0.2835 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1619    1.9866   -1.7122 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9242    1.2378   -0.4848 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2367    1.9581    0.9621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4279    2.0620   -1.2205 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3362    2.9939    0.0637 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3009   -2.7133    0.3866 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9471   -0.4302   -2.1346 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5683   -1.5010   -2.3999 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9447   -2.0531   -1.4397 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0139   -2.5369    0.9158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0803    3.0321    0.3486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3349    2.1919    1.7075 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3777   -0.4659    1.4340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9922   -2.5397    0.2909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8875   -1.6670    1.5294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1664    1.9330    0.0446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3905   -2.3478   -0.2506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3679   -1.6088   -1.5033 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 37  1  0  0  0  0
  2 20  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  3 21  1  0  0  0  0
  4  6  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 22  1  0  0  0  0
  6  8  1  0  0  0  0
  6 23  1  0  0  0  0
  7  8  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  2  0  0  0  0
 10 15  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 13  2  0  0  0  0
 11 30  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 38  1  0  0  0  0
 17 39  1  0  0  0  0
 18 20  1  0  0  0  0
 18 40  1  0  0  0  0
 19 20  1  0  0  0  0
 19 41  1  0  0  0  0
 19 42  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-03-12, 904👍, 0💬