Molecule FYI-1010721

A

Molecule Summary:

ID: FYI-1010721
Names:
InChIKey: LSMVHPBTAJOXJS-UHFFFAOYSA-N
SMILES: O=C4C3=Cc2cn1ccoc1c2C3c5c(O)c(O)ccc45

Received at FYIcenter.com on: 2024-07-05

Molecule ID: FYI-1010721 Edit

Molecule Structure InChIKey: LSMVHPBTAJOXJS-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C4C3=Cc2cn1ccoc1c2C3c5c(O)c(O)ccc45

Download SDF Download SVG Structure in 2D SDF:

FYI-1010721
FYIcenter.com

 21 25  0  0  0  0  0  0  0  0999 V2000
    6.5996    7.0690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3872    6.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1083    6.9384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6756    8.2699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    8.5610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3695    7.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.8117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8021    6.1891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8652    5.1488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1714    5.8981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8714    4.6857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2409    4.9767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9409    3.7643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0040    2.7238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8577    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4884    1.0405    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5515    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2726    0.5695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4189    1.9618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7884    2.2529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7251    3.2932    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
  7  6  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  2  0  0  0  0
 10  3  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 12  2  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 16  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 21 14  1  0  0  0  0
 21 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010721-3D
FYIcenter.com

 30 34  0     1  0  0  0  0  0999 V2000
   -2.5413    1.7838   -0.4708 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3893   -3.1785    0.1258 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5171    2.3798   -0.7733 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8673    3.2856    0.3835 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2259   -0.1240    0.4610 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0968   -0.5997   -1.0490 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2161   -0.3934   -0.4215 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3700   -2.0411   -0.5730 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2279    0.1287   -0.4019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6856   -1.6117    0.1615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6771   -2.6106    0.0693 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2256   -0.7661    0.0447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2106    0.5093   -0.2248 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7726   -2.1656   -0.1188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9233   -1.4355    0.7241 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4330    1.4941   -0.3024 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4134   -0.3361    0.6049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2434    0.7747    0.6718 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6284    1.9469    0.2661 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6083    1.0415    0.7133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8264    1.9180    0.1095 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0973   -0.5272   -2.1399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6329   -3.4794    0.7104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5881   -2.0849    1.2763 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1649   -1.0329    0.9580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1577    0.5385    1.1881 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5336    1.4080    1.1518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2852    2.8845    0.0267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1474    1.9111   -1.3038 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7391    3.4173    0.7939 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 21  1  0  0  0  0
  2 14  2  0  0  0  0
  3 16  1  0  0  0  0
  3 29  1  0  0  0  0
  4 19  1  0  0  0  0
  4 30  1  0  0  0  0
  5 13  1  0  0  0  0
  5 15  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 22  1  0  0  0  0
  7 10  1  0  0  0  0
  7 13  2  0  0  0  0
  8 11  2  0  0  0  0
  8 14  1  0  0  0  0
  9 12  2  0  0  0  0
  9 16  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  2  0  0  0  0
 11 23  1  0  0  0  0
 12 14  1  0  0  0  0
 12 17  1  0  0  0  0
 15 24  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  2  0  0  0  0
 17 25  1  0  0  0  0
 18 21  2  0  0  0  0
 18 26  1  0  0  0  0
 19 20  1  0  0  0  0
 20 27  1  0  0  0  0
 21 28  1  0  0  0  0
M  END
$$$$

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2024-07-25, 1252👍, 0💬