Molecule FYI-1010464

A

Molecule Summary:

ID: FYI-1010464
Names:
InChIKey: CAVJWTNXPCMJIR-BBEKPHEDSA-N
SMILES: CCC(O)CC(O)C2(C)CC(C)C3CCC(CC/C=C(C)\\C(=O)C(C)CC/C=C\\C(=O)N1CCC[C@H]1C(=O)O2)O3

Received at FYIcenter.com on: 2024-06-05

Molecule ID: FYI-1010464 Edit

Molecule Structure InChIKey: CAVJWTNXPCMJIR-BBEKPHEDSA-N

Molecule Structure SMILES String: CCC(O)CC(O)C2(C)CC(C)C3CCC(CC/C=C(C)\C(=O)C(C)CC/C=C\C(=O)N1CCC[C@H]1C(=O)O2)O3

Download SDF Download SVG Structure in 2D SDF:

FYI-1010464
FYIcenter.com

 40 42  0  0  1  0  0  0  0  0999 V2000
    6.0006    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0006    1.3818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8039    2.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8039    3.4545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0006    4.1454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0006    5.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3670    5.7330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6119    6.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0315    7.3799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4108    7.2971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9157    8.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8483    9.4610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6839    8.7172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5200   11.1943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0151   12.4805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1535   13.5609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0119   14.3392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6915   14.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8975   16.1129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3097   14.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9894   14.3392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8476   13.5609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9860   12.4805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4813   11.1943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3781    9.8164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.7130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6855    8.4691    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3338    8.1818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1894    6.8077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4517    6.2457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3764    7.2725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3893    6.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6109    5.1910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6342    5.7330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1038   16.1129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6114   15.5842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3249    5.1490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9533    4.6258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1973    3.4545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6073    1.3818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  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
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 13  9  1  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 25  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 31 27  1  6  0  0  0
 32 31  1  0  0  0  0
 33 32  2  0  0  0  0
 34 32  1  0  0  0  0
 34  6  1  0  0  0  0
 35 20  1  0  0  0  0
 36 17  1  0  0  0  0
 37  8  1  0  0  0  0
 38  6  1  0  0  0  0
 39  5  1  0  0  0  0
 40  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010464-3D
FYIcenter.com

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