Molecule FYI-1016585

A

Molecule Summary:

ID: FYI-1016585
Names:
InChIKey: JOSBFDVQFPUGCR-SOUNFUISSA-N
SMILES: C[C@@]3(CO)[C@H](O)CC[C@@]4(C)[C@H](C/C=C/1C(=O)OC[C@@H]1Oc2cc(F)ccc2N(=O)=O)[C@@]5(CC[C@H]34)CO5

Received at FYIcenter.com on: 2026-01-26

Molecule ID: FYI-1016585 Edit

Molecule Structure InChIKey: JOSBFDVQFPUGCR-SOUNFUISSA-N

Molecule Structure SMILES String: C[C@@]3(CO)[C@H](O)CC[C@@]4(C)[C@H](C/C=C/1C(=O)OC[C@@H]1Oc2cc(F)ccc2N(=O)=O)[C@@]5(CC[C@H]34)CO5

Download SDF Download SVG Structure in 2D SDF:

FYI-1016585
FYIcenter.com

 36 40  0  0  1  0  0  0  0  0999 V2000
   14.8010    0.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5886    0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3761    0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1636    0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1636    2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9512    1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3761    3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3761    4.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1636    5.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9512    4.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2512    5.6416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5512    4.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9512    3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7388    2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5263    3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3139    2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1676    0.9369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7981    0.6458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    1.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0350    2.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7438    4.2681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4124    4.7007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3719    3.7639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0405    4.1965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2598    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.7494    5.5659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7898    6.5027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1213    6.0700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1617    7.0069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8706    8.3762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4932    6.5743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2079    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0134    2.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5886    2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8010    1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8010    3.0292    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
  5  6  1  6  0  0  0
  7  5  1  0  0  0  0
  7  8  1  6  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 10 11  1  1  0  0  0
 12 11  1  0  0  0  0
 12 10  1  0  0  0  0
 13 10  1  0  0  0  0
 13  5  1  0  0  0  0
 13 14  1  6  0  0  0
 15 14  1  0  0  0  0
 16 15  2  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 16  1  0  0  0  0
 20 21  1  6  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 24  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 28 22  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 31 29  2  0  0  0  0
 32 17  2  0  0  0  0
 33 36  1  0  0  0  0
 34  7  1  0  0  0  0
 34  2  1  0  0  0  0
 34 35  1  1  0  0  0
 36 34  1  0  0  0  0
M  END
$$$$

Molecule Structure in 3D: Not available

✍: FYIcenter.com

2026-02-02, 1269👍, 0💬