Molecule FYI-1003311

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A

Molecule Summary:

ID: FYI-1003311
Names:
InChIKey: HPAFDYRPFHIBRI-UHFFFAOYSA-N
SMILES: Oc3cccc(c2nc(c1ccccc1O)co2)c3O

Received at FYIcenter.com on: 2023-05-31

Molecule ID: FYI-1003311 Edit

Molecule Structure InChIKey: HPAFDYRPFHIBRI-UHFFFAOYSA-N

Molecule Structure SMILES String: Oc3cccc(c2nc(c1ccccc1O)co2)c3O

Download SDF Download SVG Structure in 2D SDF:

FYI-1003311
FYIcenter.com

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.9123    3.5441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3449    4.8757    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    5.6986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0796    4.8757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5123    3.5441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7352    2.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1657    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9886    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3809    0.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9502    1.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1274    2.5578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6968    3.8368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3426    1.5718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    9.1985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    9.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.1987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  1  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
 11 12  1  0  0  0  0
 10 13  1  0  0  0  0
  3 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003311-3D
FYIcenter.com

 31 33  0     0  0  0  0  0  0999 V2000
   -0.3996    1.9434   -0.6204 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8906   -1.8488   -0.2830 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0845   -2.0577   -0.3070 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6111   -2.2138   -0.0199 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2508   -0.0588    0.2059 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1634    0.5131    0.0317 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3521    0.6828   -0.1379 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7129    0.2413    0.0091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7501    0.7351   -0.1009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6989   -0.7713   -0.0624 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9616    1.8991   -0.6400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0029    1.6041    0.2569 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0402   -1.1117   -0.0793 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7116    1.1866    0.2426 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0741   -0.9650    0.0688 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3781    1.4105    0.3881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9136    0.1260    0.2939 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3662   -1.5195    0.0660 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0376    0.7789    0.3880 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3649   -0.5742    0.2997 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4585    2.7759   -1.0293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6151    2.6162    0.3442 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4913    2.2477    0.3289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0317    2.2595    0.5656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9866   -0.0103    0.3987 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6365   -2.5700   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8153    1.5143    0.5727 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3973   -0.8915    0.4135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4442   -2.6482   -0.3165 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5041   -2.9347   -0.3354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5750   -2.1534    0.0955 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 11  1  0  0  0  0
  2 10  1  0  0  0  0
  2 29  1  0  0  0  0
  3 13  1  0  0  0  0
  3 30  1  0  0  0  0
  4 15  1  0  0  0  0
  4 31  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  2  0  0  0  0
  6  9  1  0  0  0  0
  6 10  2  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  2  0  0  0  0
  8 13  1  0  0  0  0
  8 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 21  1  0  0  0  0
 12 16  2  0  0  0  0
 12 22  1  0  0  0  0
 13 18  2  0  0  0  0
 14 19  1  0  0  0  0
 14 23  1  0  0  0  0
 15 17  2  0  0  0  0
 16 17  1  0  0  0  0
 16 24  1  0  0  0  0
 17 25  1  0  0  0  0
 18 20  1  0  0  0  0
 18 26  1  0  0  0  0
 19 20  2  0  0  0  0
 19 27  1  0  0  0  0
 20 28  1  0  0  0  0
M  END
$$$$

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2023-06-19, 3025👍, 0💬