Molecule FYI-1002075

A

Molecule Summary:

ID: FYI-1002075
Names:
InChIKey: REFJWTPEDVJJIY-UHFFFAOYSA-N
SMILES: O=c2c(O)c(c1ccc(O)c(O)c1)oc3cc(O)cc(O)c23

Received at FYIcenter.com on: 2023-01-25

Molecule ID: FYI-1002075 Edit

Molecule Structure InChIKey: REFJWTPEDVJJIY-UHFFFAOYSA-N

Molecule Structure SMILES String: O=c2c(O)c(c1ccc(O)c(O)c1)oc3cc(O)cc(O)c23

Download SDF Download SVG Structure in 2D SDF:

FYI-1002075
FYIcenter.com

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   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  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  9  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  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
 16 11  1  0  0  0  0
 17 16  1  0  0  0  0
 17  7  1  0  0  0  0
 18 14  1  0  0  0  0
 19 12  1  0  0  0  0
 20  8  1  0  0  0  0
 21  4  1  0  0  0  0
 22  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002075-3D
FYIcenter.com

 32 34  0     0  0  0  0  0  0999 V2000
   -0.3256   -0.8658   -0.1246 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7320    2.6650   -0.0692 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4111    1.7247    0.1690 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0405    2.8247    0.0849 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5541   -3.0185    0.0059 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7260   -0.5543    2.0391 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9621   -0.7455   -0.4423 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3363    0.4858    0.0234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6894   -0.7456   -0.0524 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417    0.2883   -0.1097 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8880    0.0180   -0.1934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0582    1.5360   -0.0489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5283    1.7149    0.0259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7304    0.5474    0.0939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4335   -1.9257   -0.0588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8256   -1.8685    0.0117 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6365   -0.1435    0.9728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4724   -0.6343    0.0880 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5093   -0.0766   -1.4389 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0054   -0.3998    0.8936 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8783   -0.3325   -1.5181 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6263   -0.4943   -0.3518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9319   -2.8883   -0.1184 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1602   -0.0715    1.9482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5576   -0.5880    0.1428 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9395    0.0465   -2.3567 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3560   -0.4053   -2.4914 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6675    2.4118   -0.1228 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7963    2.4741    0.1701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4988   -2.7937    0.0605 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6637   -0.3751    1.8626 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2712   -1.1700    0.3741 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 28  1  0  0  0  0
  3 14  1  0  0  0  0
  3 29  1  0  0  0  0
  4 13  2  0  0  0  0
  5 16  1  0  0  0  0
  5 30  1  0  0  0  0
  6 20  1  0  0  0  0
  6 31  1  0  0  0  0
  7 22  1  0  0  0  0
  7 32  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 17  2  0  0  0  0
 11 19  1  0  0  0  0
 12 13  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 15 23  1  0  0  0  0
 16 18  2  0  0  0  0
 17 20  1  0  0  0  0
 17 24  1  0  0  0  0
 18 25  1  0  0  0  0
 19 21  2  0  0  0  0
 19 26  1  0  0  0  0
 20 22  2  0  0  0  0
 21 22  1  0  0  0  0
 21 27  1  0  0  0  0
M  END
$$$$

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