Molecule FYI-1005194

A

Molecule Summary:

ID: FYI-1005194
Names:
InChIKey: HDLJHDFHUGTQCD-QNSVNVJESA-N
SMILES: c2cc1OCOc1cc2[C@H]5COC(c4ccc3OCOc3c4)CO5

Received at FYIcenter.com on: 2023-10-17

Molecule ID: FYI-1005194 Edit

Molecule Structure InChIKey: HDLJHDFHUGTQCD-QNSVNVJESA-N

Molecule Structure SMILES String: c2cc1OCOc1cc2[C@H]5COC(c4ccc3OCOc3c4)CO5

Download SDF Download SVG Structure in 2D SDF:

FYI-1005194
FYIcenter.com

 24 28  0  0  0  0  0  0  0  0999 V2000
    1.8326    1.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2652    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    3.1948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4326    1.0404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7694    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1388    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5714    1.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6347    2.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9408    1.9136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8776    0.8732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2470    1.1643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6797    2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7429    3.5362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3735    3.2451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0491    2.7869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9858    1.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3553    2.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7879    3.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8511    4.4094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4817    4.1183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4879    1.2146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6205    2.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1879    3.3690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  2  9  2  0  0  0  0
  1  6  2  0  0  0  0
  8 10  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  1  0  0  0  0
 13 16  1  1  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 19 24  1  0  0  0  0
 18 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005194-3D
FYIcenter.com

 40 44  0  0  1  0  0  0  0  0999 V2000
    5.5866    0.0784    1.1406 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4653   -1.0093    1.1765 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4546   -1.8749    0.1082 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2115   -2.9976   -0.0078 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7563   -3.4974   -1.2814 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7757   -2.6480   -1.9151 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6326   -1.6755   -0.9740 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7590   -0.6072   -1.0382 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7096    0.2904    0.0475 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6683    1.4083    0.0369 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6252    2.3369    1.2641 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8048    3.1450    1.3472 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9658    3.9457    0.1627 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3097    4.6458    0.2404 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4367    3.9845    0.7888 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6899    4.6025    0.8398 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7962    5.8742    0.3264 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9321    6.6192    0.2792 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4461    7.8086   -0.3758 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0363    7.7634   -0.6822 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7148    6.5238   -0.2192 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4635    5.9441   -0.2789 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8773    3.1009   -1.1276 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7497    2.2135   -1.1536 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5945    0.7549    1.9926 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1208   -1.1741    2.0242 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3149   -4.4896   -1.1306 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6218   -3.5963   -1.9459 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1149   -0.4786   -1.9028 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6946    0.9032   -0.0060 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5353    1.7665    2.1943 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7594    3.0074    1.2049 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1588    4.6894    0.1794 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3330    2.9754    1.1868 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5498    4.0949    1.2646 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0027    7.9431   -1.3104 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6358    8.6708    0.2742 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6332    6.4837   -0.7213 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7830    2.5060   -1.2877 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7820    3.7681   -1.9930 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  9  2  0  0  0  0
  1 25  1  0  0  0  0
  2  3  2  0  0  0  0
  2 26  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 27  1  0  0  0  0
  5 28  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 29  1  0  0  0  0
 10 11  1  0  0  0  0
 10 24  1  0  0  0  0
 10  9  1  0  0  0  0
 10 30  1  6  0  0  0
 11 12  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 23  1  0  0  0  0
 13 33  1  0  0  0  0
 14 15  1  0  0  0  0
 14 22  2  0  0  0  0
 15 16  2  0  0  0  0
 15 34  1  0  0  0  0
 16 17  1  0  0  0  0
 16 35  1  0  0  0  0
 17 18  1  0  0  0  0
 17 21  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 38  1  0  0  0  0
 23 24  1  0  0  0  0
 23 39  1  0  0  0  0
 23 40  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-10-27, 1925👍, 0💬