Molecule FYI-1010765

A

Molecule Summary:

ID: FYI-1010765
Names:
InChIKey: KAKZXFRAQROUIJ-YKKYYHABSA-N
SMILES: CC(=O)O[C@@H]1O[C@@H](C(C)(C)O)CCC1[C@H]2CC[C@@]3(C)C5=C(C[C@H](O)[C@]23C)[C@@]4(C)C[C@@H](OC(=O)CC(C)(O)CC(=O)O)[C@H](OC(C)=O)C(C)(C)C4CC5

Received at FYIcenter.com on: 2024-07-13

Molecule ID: FYI-1010765 Edit

Molecule Structure InChIKey: KAKZXFRAQROUIJ-YKKYYHABSA-N

Molecule Structure SMILES String: CC(=O)O[C@@H]1O[C@@H](C(C)(C)O)CCC1[C@H]2CC[C@@]3(C)C5=C(C[C@H](O)[C@]23C)[C@@]4(C)C[C@@H](OC(=O)CC(C)(O)CC(=O)O)[C@H](OC(C)=O)C(C)(C)C4CC5

Download SDF Download SVG Structure in 2D SDF:

FYI-1010765
FYIcenter.com

 52 56  0  0  1  0  0  0  0  0999 V2000
    8.4871    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6119    2.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9524   10.7368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3830   12.0158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9906   11.8694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0538   12.9099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6844   12.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7476   13.6592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1802   14.9907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5496   15.2818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4864   14.2413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8558   14.5324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2885   15.8639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3517   16.9043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6579   16.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2435   16.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2838   16.9679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3067   17.0715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2031   15.0943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1910    9.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5669   11.3230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9373    5.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  1  0  0  0
  6  5  1  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  1  0  0  0  0
 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
 12 10  1  0  0  0  0
 13  9  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16  8  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 20 15  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  1  0  0  0
 23 19  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 29 24  1  0  0  0  0
 29 30  1  1  0  0  0
 31 30  1  0  0  0  0
 32 31  2  0  0  0  0
 33 31  1  0  0  0  0
 27 34  1  6  0  0  0
 35 34  1  0  0  0  0
 36 34  1  0  0  0  0
 37 34  1  0  0  0  0
 20 38  1  6  0  0  0
 19 39  1  1  0  0  0
 18 40  1  6  0  0  0
  8 41  1  1  0  0  0
  6 42  1  6  0  0  0
 43 42  1  0  0  0  0
 44 43  2  0  0  0  0
 45 43  1  0  0  0  0
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 47 46  1  0  0  0  0
 48 46  1  0  0  0  0
 49 48  1  0  0  0  0
 50 49  2  0  0  0  0
 51 49  1  0  0  0  0
 52 46  1  0  0  0  0
M  END
$$$$

Molecule Structure in 3D: Not available

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2024-07-25, 1104👍, 0💬