Molecule FYI-1004099

A

Molecule Summary:

ID: FYI-1004099
Names:
InChIKey: ADOJLRCOEKTFJP-BAMQMXGFSA-N
SMILES: C[C@H](O)[C@H]4C[C@H](C)[C@H]([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)C2=C(O)COC2=O)CO)O3)O4

Received at FYIcenter.com on: 2023-08-11

Molecule ID: FYI-1004099 Edit

Molecule Structure InChIKey: ADOJLRCOEKTFJP-BAMQMXGFSA-N

Molecule Structure SMILES String: C[C@H](O)[C@H]4C[C@H](C)[C@H]([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)C2=C(O)COC2=O)CO)O3)O4

Download SDF Download SVG Structure in 2D SDF:

FYI-1004099
FYIcenter.com

 42 45  0  0  1  0  0  0  0  0999 V2000
   10.1898   17.1660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9774   16.4660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7650   17.1660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5526   16.4660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5526   15.0660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7650   14.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7650   12.9660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5526   12.2660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3400   12.9660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1276   12.2660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5526   10.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9774   12.2660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3400   10.1660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3400    8.7660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9723   14.2049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1276    8.0660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1276    6.6660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9152    5.9660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7027    6.6660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9152    4.5660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6812   12.8354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7826    3.7431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    1.2789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9617    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6180   11.7950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6152    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0478    3.7431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3792    4.1757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5526    8.0660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7650    8.7660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7650   10.1660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9774   10.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9180   10.5826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9774   15.0660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5082    9.9368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1898   14.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4023   15.0660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1898   12.9660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4023   12.2660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5486   10.8737    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  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  1  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  8  1  1  0  0  0
 12 40  2  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15 21  2  0  0  0  0
 14 16  1  1  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 18 19  1  1  0  0  0
 20 18  1  0  0  0  0
 21 41  1  0  0  0  0
 20 22  1  1  0  0  0
 23 22  1  6  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 24 26  1  1  0  0  0
 21 27  1  0  0  0  0
 28 23  1  0  0  0  0
 29 28  1  0  0  0  0
 29 20  1  0  0  0  0
 29 30  1  1  0  0  0
 31 14  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  1  0  0  0  0
 33 11  1  0  0  0  0
 33 34  1  6  0  0  0
 27 35  1  0  0  0  0
 36  6  1  0  0  0  0
 36  2  1  0  0  0  0
 35 42  1  0  0  0  0
 36 38  1  6  0  0  0
 38 39  1  6  0  0  0
 40 38  1  0  0  0  0
 41 40  1  0  0  0  0
 42 41  2  0  0  0  0
 37 42  1  0  0  0  0
M  END
$$$$

Molecule Structure in 3D: Not available

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2023-08-25, 798👍, 0💬