Molecule FYI-1017701

A

Molecule Summary:

ID: FYI-1017701
Names:
InChIKey: NTGXPLITNOHOJL-VXLYETTFSA-N
SMILES: CCCCCOc3ccc(C=c2oc1cc(O)cc(C)c1c2=O)c(O)c3

Received at FYIcenter.com on: 2026-10-09

Molecule ID: FYI-1017701 Edit

Molecule Structure InChIKey: NTGXPLITNOHOJL-VXLYETTFSA-N

Molecule Structure SMILES String: CCCCCOc3ccc(C=c2oc1cc(O)cc(C)c1c2=O)c(O)c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1017701
FYIcenter.com

 26 28  0  0  0  0  0  0  0  0999 V2000
   17.8401    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6276    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4152    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2028    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9904    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7779    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5655    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3531    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1405    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1405    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9281    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4369    1.5306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    2.5709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.5709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    3.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    4.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    4.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    6.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    3.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5695    3.4923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6098    4.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3531    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3531    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5655    2.1000    0.0000 C   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  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 16  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 19  2  0  0  0  0
 21 14  1  0  0  0  0
 22 21  1  0  0  0  0
 22 12  1  0  0  0  0
 23 22  2  0  0  0  0
 24 10  1  0  0  0  0
 25 24  1  0  0  0  0
 26 24  2  0  0  0  0
 26  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1017701-3D
FYIcenter.com

 48 50  0  0  0  0  0  0  0  0999 V2000
    1.9429   -4.2150    0.1408 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3803   -3.9679    0.5675 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6216   -2.5053    0.9492 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0914   -2.2685    1.3036 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3624   -0.8266    1.7287 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7478   -0.7422    2.0780 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1692    0.4281    2.6441 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4578    1.6220    2.6564 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0015    2.7578    3.2702 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2705    2.7361    3.8785 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6865    3.9970    4.5231 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9115    4.5161    4.6813 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1162    3.9374    4.3135 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0949    4.8094    4.7374 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4516    4.5930    4.6170 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2916    5.5750    5.1384 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6492    5.4447    5.0807 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7882    6.7370    5.7495 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4073    6.9593    5.8523 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8636    8.2019    6.4827 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5883    5.9633    5.3424 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1329    5.8379    5.3305 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3070    6.6140    5.7614 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9652    1.5182    3.8658 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1762    1.3155    4.4680 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4272    0.3856    3.2430 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7905   -5.2776   -0.0727 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000   -3.6513   -0.7651 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2403   -3.9242    0.9275 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0479   -4.2572   -0.2524 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6150   -4.6160    1.4207 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9873   -2.2445    1.8058 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3286   -1.8488    0.1192 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7275   -2.5078    0.4414 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4079   -2.9477    2.1075 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7370   -0.5727    2.5942 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1358   -0.1479    0.8956 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4797    1.7086    2.1955 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4088    3.6720    3.2616 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8537    4.5995    4.8897 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8322    3.6942    4.1478 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8695    4.5992    4.6564 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4921    7.4661    6.1463 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6704    8.8813    6.7792 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2865    7.9605    7.3808 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2266    8.7401    5.7730 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4848    2.1561    4.8396 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9900   -0.5446    3.2449 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  2  3  1  0  0  0  0
  2 30  1  0  0  0  0
  2 31  1  0  0  0  0
  3  4  1  0  0  0  0
  3 32  1  0  0  0  0
  3 33  1  0  0  0  0
  4  5  1  0  0  0  0
  4 34  1  0  0  0  0
  4 35  1  0  0  0  0
  5  6  1  0  0  0  0
  5 36  1  0  0  0  0
  5 37  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 26  2  0  0  0  0
  8  9  2  0  0  0  0
  8 38  1  0  0  0  0
  9 10  1  0  0  0  0
  9 39  1  0  0  0  0
 10 11  1  0  0  0  0
 10 24  2  0  0  0  0
 11 12  2  3  0  0  0
 11 40  1  0  0  0  0
 12 13  1  0  0  0  0
 12 22  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 21  2  0  0  0  0
 15 16  2  0  0  0  0
 15 41  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 42  1  0  0  0  0
 18 19  2  0  0  0  0
 18 43  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 44  1  0  0  0  0
 20 45  1  0  0  0  0
 20 46  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 47  1  0  0  0  0
 26 48  1  0  0  0  0
M  END
$$$$

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2026-10-17, 306👍, 0💬