Molecule FYI-1007285

A

Molecule Summary:

ID: FYI-1007285
Names:
InChIKey: RLTAIXLLELARNK-HAJIFOKXSA-N
SMILES: C[C@@H](C[C@@H](O)[C@H](O)C(C)(C)O)[C@@H]3CC[C@]4(C)C2=CC[C@H]1C(C)(C)/C(=N/O)CC[C@]1(C)[C@H]2CC[C@@]34C

Received at FYIcenter.com on: 2024-02-15

Molecule ID: FYI-1007285 Edit

Molecule Structure InChIKey: RLTAIXLLELARNK-HAJIFOKXSA-N

Molecule Structure SMILES String: C[C@@H](C[C@@H](O)[C@H](O)C(C)(C)O)[C@@H]3CC[C@]4(C)C2=CC[C@H]1C(C)(C)/C(=N/O)CC[C@]1(C)[C@H]2CC[C@@]34C

Download SDF Download SVG Structure in 2D SDF:

FYI-1007285
FYIcenter.com

 35 38  0  0  1  0  0  0  0  0999 V2000
    1.9124    0.1876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5536    1.5306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4903    2.5710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7903    3.7835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1827    3.9297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2229    5.1149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5924    5.4060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0250    6.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0882    7.7779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5208    9.1094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8523    8.6768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5612   10.0461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5840   10.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2147    9.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7821    8.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7188    7.4868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3494    7.1957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2862    6.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9168    5.8642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4842    4.5327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4210    3.4924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0895    3.0598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0167   11.4812    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0800   12.5216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 35  1  0  0  0  0
  2  3  1  1  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
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  6  0  0  0
 11 35  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14 12  1  0  0  0  0
 15 12  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 18 10  1  0  0  0  0
 18 19  1  6  0  0  0
 20 18  1  0  0  0  0
 20  7  1  0  0  0  0
 21 35  1  0  0  0  0
 20 22  1  6  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 24  2  1  0  0  0  0
 24  5  1  0  0  0  0
 24 25  1  1  0  0  0
 26 15  2  0  0  0  0
 27 26  1  0  0  0  0
 28  2  1  0  0  0  0
 28 29  1  1  0  0  0
 30 28  1  0  0  0  0
 31 30  1  0  0  0  0
 31 32  1  1  0  0  0
 33 31  1  0  0  0  0
 33 34  1  1  0  0  0
 35 33  1  0  0  0  0
M  END
$$$$

Molecule Structure in 3D: Not available

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2024-04-14, 390👍, 0💬