Molecule FYI-1003353

A

Molecule Summary:

ID: FYI-1003353
Names:
InChIKey: SXMIZVLPJHKDBG-WPXNJRCZSA-N
SMILES: CC(C)(O)/C=C/[C@H](O)[C@](C)(O)[C@H]3[C@H](O)C[C@@]4(C)C2CC=C1C(CC[C@@H](O)C1(C)C)[C@]2(C)C(=O)C[C@]34C

Received at FYIcenter.com on: 2023-06-05

Molecule ID: FYI-1003353 Edit

Molecule Structure InChIKey: SXMIZVLPJHKDBG-WPXNJRCZSA-N

Molecule Structure SMILES String: CC(C)(O)/C=C/[C@H](O)[C@](C)(O)[C@H]3[C@H](O)C[C@@]4(C)C2CC=C1C(CC[C@@H](O)C1(C)C)[C@]2(C)C(=O)C[C@]34C

Download SDF Download SVG Structure in 2D SDF:

FYI-1003353
FYIcenter.com

 36 39  0  0  1  0  0  0  0  0999 V2000
    5.0883    4.6063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1287    5.5430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5614    4.2116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3655    7.7959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9961    7.5048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9557    8.4416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3634    2.5890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2374    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9374    6.6249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8884    7.7160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4349    6.2923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3717    7.3328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7411    7.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1737    5.7102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5431    5.4191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8746    5.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8342    6.7885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9758    4.0877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3452    3.7966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0390    3.0472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6695    3.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2369    4.6698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8676    4.9609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3002    3.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9308    3.9205    0.0000 C   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  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  6  0  0  0
  8  6  1  0  0  0  0
  8  2  1  0  0  0  0
  9 36  2  0  0  0  0
  8 10  1  1  0  0  0
 11 10  1  0  0  0  0
 10 12  1  6  0  0  0
 13 10  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 16  1  0  0  0  0
 19 16  1  0  0  0  0
 13 20  1  1  0  0  0
  4 21  1  6  0  0  0
 22  4  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 26  1  0  0  0  0
 29 26  1  0  0  0  0
 29 30  1  6  0  0  0
 31 29  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  1  0  0  0  0
 33 25  1  0  0  0  0
 34 33  1  0  0  0  0
 34 22  1  0  0  0  0
 34 35  1  1  0  0  0
 36 34  1  0  0  0  0
 36  3  1  0  0  0  0
M  END
$$$$

Molecule Structure in 3D: Not available

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2023-07-08, 707👍, 0💬