Molecule FYI-1011893

A

Molecule Summary:

ID: FYI-1011893
Names:
InChIKey: TZBJGXHYKVUXJN-UHFFFAOYSA-N
SMILES: O=c2c(c1ccc(O)cc1)coc3cc(O)cc(O)c23

Received at FYIcenter.com on: 2024-08-12

Molecule ID: FYI-1011893 Edit

Molecule Structure InChIKey: TZBJGXHYKVUXJN-UHFFFAOYSA-N

Molecule Structure SMILES String: O=c2c(c1ccc(O)cc1)coc3cc(O)cc(O)c23

Download SDF Download SVG Structure in 2D SDF:

FYI-1011893
FYIcenter.com

 20 22  0  0  0  0  0  0  0  0999 V2000
    9.6995    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.0000    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
    6.0621    4.9000    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
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    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    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   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
    4.8497    2.8000    0.0000 C   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
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  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  1  0  0  0  0
 13 11  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 14  2  0  0  0  0
 16  9  1  0  0  0  0
 17 10  1  0  0  0  0
 17  6  1  0  0  0  0
 18 17  2  0  0  0  0
 19  5  1  0  0  0  0
 20 19  2  0  0  0  0
 20  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1011893-3D
FYIcenter.com

 30 32  0     0  0  0  0  0  0999 V2000
    1.2051    2.0344   -0.0191 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3770   -2.6680   -0.0009 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0855   -1.8360   -0.0685 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7528    0.6696    0.0402 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2316   -0.2771    0.0415 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7278   -0.3357   -0.0110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6569    0.4751   -0.0269 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1110    1.0050   -0.0063 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2923   -0.6720   -0.0338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1156    0.2792   -0.0089 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6957   -1.3435    0.0017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1296    1.7087   -0.0190 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4639    1.3457    0.0107 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0482   -1.0002    0.0194 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4317    0.3413    0.0237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8266    0.2009   -1.2082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7928    0.1698    1.2074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2089    0.0143   -1.1914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1749   -0.0169    1.2242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8831   -0.0945    0.0249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7215    2.6158   -0.0091 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7649    2.3903    0.0139 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8016   -1.7845    0.0296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3152    0.2826   -2.1644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2551    0.2272    2.1508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7488   -0.0450   -2.1326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6946   -0.1015    2.1747 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4152   -2.7879    0.0091 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2809   -0.1471    0.0473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5567   -0.3074   -0.8746 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 12  1  0  0  0  0
  2 11  1  0  0  0  0
  2 28  1  0  0  0  0
  3  9  2  0  0  0  0
  4 15  1  0  0  0  0
  4 29  1  0  0  0  0
  5 20  1  0  0  0  0
  5 30  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 11  2  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  2  0  0  0  0
 10 16  2  0  0  0  0
 10 17  1  0  0  0  0
 11 14  1  0  0  0  0
 12 21  1  0  0  0  0
 13 15  1  0  0  0  0
 13 22  1  0  0  0  0
 14 15  2  0  0  0  0
 14 23  1  0  0  0  0
 16 18  1  0  0  0  0
 16 24  1  0  0  0  0
 17 19  2  0  0  0  0
 17 25  1  0  0  0  0
 18 20  2  0  0  0  0
 18 26  1  0  0  0  0
 19 20  1  0  0  0  0
 19 27  1  0  0  0  0
M  END
$$$$

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2024-10-14, 1645👍, 0💬