Molecule FYI-1006240

A

Molecule Summary:

ID: FYI-1006240
Names:
InChIKey: MYMGKIQXYXSRIJ-UHFFFAOYSA-N
SMILES: COc3cc(O)c2c(=O)c(O)c(c1ccc(O)c(OC)c1)oc2c3

Received at FYIcenter.com on: 2023-12-05

Molecule ID: FYI-1006240 Edit

Molecule Structure InChIKey: MYMGKIQXYXSRIJ-UHFFFAOYSA-N

Molecule Structure SMILES String: COc3cc(O)c2c(=O)c(O)c(c1ccc(O)c(OC)c1)oc2c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1006240
FYIcenter.com

 24 26  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    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
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   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 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 O   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
    1.2124    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  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
 10  4  1  0  0  0  0
 11 10  2  0  0  0  0
 12  9  1  0  0  0  0
 13  8  1  0  0  0  0
 14 13  2  0  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  2  0  0  0  0
 18 13  1  0  0  0  0
 19 17  1  0  0  0  0
 20 19  1  0  0  0  0
 21 16  1  0  0  0  0
 22  3  1  0  0  0  0
 23  1  1  0  0  0  0
 24 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006240-3D
FYIcenter.com

 38 40  0     0  0  0  0  0  0999 V2000
    0.4576   -0.6785   -0.1908 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9097    2.7444   -0.2410 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8450   -2.4450    0.2097 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2805    2.2694    0.2367 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8289    3.1527    0.0205 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6869   -0.8086    1.7049 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7920   -1.1220   -0.8263 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3322    0.8487    0.0202 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000   -0.4364   -0.0553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4055    0.4034   -0.2658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8169    0.0038   -0.4092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0219    1.6912   -0.1961 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4205    2.0010   -0.0462 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7098    1.0349    0.1589 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6436   -1.5459    0.0085 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0198   -1.3642    0.1471 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5516   -0.0763    0.2220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5985   -0.2173    0.7252 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3721   -0.1541   -1.6793 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9341   -0.5956    0.5895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7077   -0.5325   -1.8151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4888   -0.7532   -0.6806 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2359   -3.7324    0.1274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3912    0.3124    2.2351 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1724   -2.5213   -0.0549 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6251    0.0598    0.3300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1728   -0.0977    1.7192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7757    0.0141   -2.5728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1339   -0.6535   -2.8073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8152    2.4083   -0.3361 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6043    2.9613    0.1770 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7411   -3.8830   -0.8382 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0385   -4.4742    0.1936 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5628   -3.9143    0.9722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1717   -1.2713    0.0566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9724   -0.0250    3.0976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6877    1.0827    2.5668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0782    0.7278    1.4909 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  2 12  1  0  0  0  0
  2 30  1  0  0  0  0
  3 16  1  0  0  0  0
  3 23  1  0  0  0  0
  4 14  1  0  0  0  0
  4 31  1  0  0  0  0
  5 13  2  0  0  0  0
  6 20  1  0  0  0  0
  6 24  1  0  0  0  0
  7 22  1  0  0  0  0
  7 35  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 18  2  0  0  0  0
 11 19  1  0  0  0  0
 12 13  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 15 25  1  0  0  0  0
 16 17  2  0  0  0  0
 17 26  1  0  0  0  0
 18 20  1  0  0  0  0
 18 27  1  0  0  0  0
 19 21  2  0  0  0  0
 19 28  1  0  0  0  0
 20 22  2  0  0  0  0
 21 22  1  0  0  0  0
 21 29  1  0  0  0  0
 23 32  1  0  0  0  0
 23 33  1  0  0  0  0
 23 34  1  0  0  0  0
 24 36  1  0  0  0  0
 24 37  1  0  0  0  0
 24 38  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-12-17, 266👍, 0💬