Molecule FYI-1010968

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A

Molecule Summary:

ID: FYI-1010968
Names:
InChIKey: NGVDGCNFYWLIFO-UHFFFAOYSA-N
SMILES: Cc1ncc(COP(=O)(O)O)c(C=O)c1O

Received at FYIcenter.com on: 2024-07-18

Molecule ID: FYI-1010968 Edit

Molecule Structure InChIKey: NGVDGCNFYWLIFO-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1ncc(COP(=O)(O)O)c(C=O)c1O

Download SDF Download SVG Structure in 2D SDF:

FYI-1010968
FYIcenter.com

 16 16  0  0  0  0  0  0  0  0999 V2000
    8.4871    4.9000    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
    6.0621    4.9000    0.0000 N   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
    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 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 O   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
    2.4248    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    3.3124    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
    1.9124    0.8876    0.0000 O   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
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  6  1  0  0  0  0
 10  9  2  0  0  0  0
 11  5  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  1  0  0  0  0
 16 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010968-3D
FYIcenter.com

 26 26  0     0  0  0  0  0  0999 V2000
   -3.5764    0.1493   -0.3127 P   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9746    0.3328   -0.4260 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2571   -1.3903   -0.4957 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0093    1.2277    0.8120 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7195   -1.2666    0.4551 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2533   -2.9595    0.3602 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3210    0.2437   -1.6124 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0755    1.9981    0.1545 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2391    0.4510    0.4354 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0769   -0.6125    0.1184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2007    0.2559    0.7655 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4134   -0.3722   -0.1807 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8594    0.9392   -0.1490 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7824    1.7257    0.4396 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2852    1.2536   -0.4633 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5591   -1.9759    0.0992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3812   -0.6885    1.2882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5281    1.0464    1.4514 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1804    2.5976    0.6767 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5352    0.9463   -1.4839 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4688    2.3315   -0.3928 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9575    0.7612    0.2467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5065   -2.1122   -0.1458 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1521   -1.0648   -0.6777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9619    1.3475    1.0128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6122   -1.6568    0.5689 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1  7  2  0  0  0  0
  2 11  1  0  0  0  0
  3 12  1  0  0  0  0
  3 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6 16  2  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 14  2  0  0  0  0
 10 12  2  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
 12 13  1  0  0  0  0
 13 15  1  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
 15 21  1  0  0  0  0
 15 22  1  0  0  0  0
 16 23  1  0  0  0  0
M  END
$$$$

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2024-08-06, 818👍, 0💬