Molecule FYI-1015007

A

Molecule Summary:

ID: FYI-1015007
Names:
InChIKey: OEGWOBMNQDATKP-UHFFFAOYSA-O
SMILES: COc4c(O)ccc5cc3c2cc1OCOc1cc2CC[n+]3cc45

Received at FYIcenter.com on: 2025-06-13

Molecule ID: FYI-1015007 Edit

Molecule Structure InChIKey: OEGWOBMNQDATKP-UHFFFAOYSA-O

Molecule Structure SMILES String: COc4c(O)ccc5cc3c2cc1OCOc1cc2CC[n+]3cc45

Download SDF Download SVG Structure in 2D SDF:

FYI-1015007
FYIcenter.com

 24 28  0  0  0  0  0  0  0  0999 V2000
    4.8498    9.9157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   10.6157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.9157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   10.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   12.0157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.9157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.4157    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.6373    7.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    5.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    3.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1720    1.2789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7414    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1338    0.1463    0.0000 O   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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  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
 13  3  1  0  0  0  0
 13  8  1  0  0  0  0
 14 11  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 21 16  1  0  0  0  0
 21 10  1  0  0  0  0
 22 19  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 24 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015007-3D
FYIcenter.com

 40 44  0     0  0  0  0  0  0999 V2000
   -5.8814    0.1351   -0.1985 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8197   -1.9787    0.2560 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5730    1.3185    0.4357 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0451   -0.9663    0.0431 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3863    1.1747    0.2931 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.3585    2.4340    0.5466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5468    2.5247   -0.3911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2692   -0.0015    0.0710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3949    1.2966   -0.2151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7439    0.0555    0.0262 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7377    1.2225    0.3425 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4842   -1.1703   -0.1332 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5220    0.0863    0.1512 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8819   -1.1380   -0.0941 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7924    1.3880   -0.3176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5457   -1.0894    0.2028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5260    0.2366   -0.1454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9199   -0.9670    0.1121 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9248    0.1389    0.1977 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6586   -2.2923   -0.2937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0614   -1.2723    0.0584 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6842   -1.0142   -0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0516   -2.2291   -0.2467 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9107    2.1080   -0.7005 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3078    3.2877    0.3863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6554    2.4061    1.6021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2169    2.5823   -1.4351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1189    3.4309   -0.1630 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1644    2.1973    0.5507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0136   -2.1153   -0.3392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2812    2.3355   -0.5179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1163   -2.0638    0.4128 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1831   -3.2517   -0.4864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5885   -1.7199   -0.7920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6788   -1.3894    0.9565 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6290   -3.1361   -0.4037 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3993   -1.8579   -0.1174 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3577    3.0416   -0.3478 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0219    2.3495   -1.2919 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6426    1.5864   -1.3252 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  1 21  1  0  0  0  0
  2 18  1  0  0  0  0
  2 21  1  0  0  0  0
  3 19  1  0  0  0  0
  3 24  1  0  0  0  0
  4 22  1  0  0  0  0
  4 37  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  2  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7  9  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  2  0  0  0  0
 10 16  2  0  0  0  0
 11 13  2  0  0  0  0
 11 29  1  0  0  0  0
 12 14  2  0  0  0  0
 12 30  1  0  0  0  0
 13 14  1  0  0  0  0
 13 19  1  0  0  0  0
 14 20  1  0  0  0  0
 15 17  1  0  0  0  0
 15 31  1  0  0  0  0
 16 18  1  0  0  0  0
 16 32  1  0  0  0  0
 17 18  2  0  0  0  0
 19 22  2  0  0  0  0
 20 23  2  0  0  0  0
 20 33  1  0  0  0  0
 21 34  1  0  0  0  0
 21 35  1  0  0  0  0
 22 23  1  0  0  0  0
 23 36  1  0  0  0  0
 24 38  1  0  0  0  0
 24 39  1  0  0  0  0
 24 40  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-06-18, 764👍, 0💬