Molecule FYI-1004097

A

Molecule Summary:

ID: FYI-1004097
Names:
InChIKey: SDPJBIGQWRBAGX-MLYXUFQJSA-N
SMILES: C[C@@H](O)C4C[C@H](C)C([C@@H](C)/C=C/[C@@H]3CC[C@@H](C)[C@H](/C(=C\\[C@H]1CCC[C@@H](C)[C@@H]1[C@H](C)/C(O)=C\\2C(=O)COC2=O)CO)O3)O4

Received at FYIcenter.com on: 2023-08-10

Molecule ID: FYI-1004097 Edit

Molecule Structure InChIKey: SDPJBIGQWRBAGX-MLYXUFQJSA-N

Molecule Structure SMILES String: C[C@@H](O)C4C[C@H](C)C([C@@H](C)/C=C/[C@@H]3CC[C@@H](C)[C@H](/C(=C\[C@H]1CCC[C@@H](C)[C@@H]1[C@H](C)/C(O)=C\2C(=O)COC2=O)CO)O3)O4

Download SDF Download SVG Structure in 2D SDF:

FYI-1004097
FYIcenter.com

 42 45  0  0  1  0  0  0  0  0999 V2000
    8.4871   12.9659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   12.2659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   10.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   10.1660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   10.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   12.2659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   12.9659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   14.3659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   15.0659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   15.0659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   16.4659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7171   17.2889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3856   16.8563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1498   18.6204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5498   18.6204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9824   17.2889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3139   16.8563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   14.3659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   12.9659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   12.2659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   12.9659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.2659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   10.1660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.7660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.0660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.7660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   10.1660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    8.0660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.6660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.9660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.6660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.5660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1948    3.7430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7622    2.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3622    2.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9296    3.7430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5393    1.2789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1469    1.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1087    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5263    4.1756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  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
  7  2  1  0  0  0  0
  7  8  1  1  0  0  0
  8  9  1  1  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  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
 16 11  1  0  0  0  0
 17 16  2  0  0  0  0
 18 10  1  0  0  0  0
  6 19  1  6  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 20  1  6  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
 28 23  1  0  0  0  0
 27 29  1  6  0  0  0
 30 29  2  0  0  0  0
 31 30  1  0  0  0  0
 31 32  1  6  0  0  0
 33 31  1  0  0  0  0
 34 33  1  0  0  0  0
 35 34  1  0  0  0  0
 36 35  1  0  0  0  0
 36 37  1  0  0  0  0
 33 37  1  0  0  0  0
 38 36  1  0  0  0  0
 39 38  1  0  0  0  0
 38 40  1  6  0  0  0
 34 41  1  1  0  0  0
 24 42  1  1  0  0  0
M  END
$$$$

Molecule Structure in 3D: Not available

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2023-08-25, 2415👍, 0💬