Molecule FYI-1005204

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Molecule Summary:

ID: FYI-1005204
Names:
InChIKey: QAONXECTCKEGAV-GFCCVEGCSA-N
SMILES: c2cc1OCOc1cc2O[C@@H]3CCCCO3

Received at FYIcenter.com on: 2023-10-17

Molecule ID: FYI-1005204 Edit

Molecule Structure InChIKey: QAONXECTCKEGAV-GFCCVEGCSA-N

Molecule Structure SMILES String: c2cc1OCOc1cc2O[C@@H]3CCCCO3

Download SDF Download SVG Structure in 2D SDF:

FYI-1005204
FYIcenter.com

 16 18  0  0  0  0  0  0  0  0999 V2000
    4.8200    0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9476    0.0153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2300    0.5771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3847    1.9685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2571    2.7983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9747    2.2365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5055    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4485    1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7559    2.2513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8471    3.0662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5647    2.5044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4370    3.3341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1547    2.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1277    0.5512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4100    1.1130    0.0000 C   0  0  0  0  0  0  0  0  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  6  2  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  4  9  1  0  0  0  0
  3  7  1  0  0  0  0
  6 10  1  0  0  0  0
 11 10  1  6  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005204-3D
FYIcenter.com

 30 32  0  0  1  0  0  0  0  0999 V2000
    2.3760   -0.9651   -0.3988 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3892   -1.9530   -0.4764 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1123   -1.5959   -0.1277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9470   -2.4379    0.0125 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8853   -1.5600    0.6668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5114   -0.1703    0.5765 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2075   -0.2929    0.2003 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7366    0.7193    0.2153 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0611    0.3580   -0.0217 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1476    1.1216    0.2911 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1668    2.5231    0.0128 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5521    3.0322    0.4363 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7126    2.9846    1.9573 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5536    3.6820    2.6532 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2039    3.2877    2.0697 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1732    3.3293    0.6469 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4135   -1.2347   -0.5867 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6352   -2.9761   -0.7327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9370   -1.8357    1.7287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8745   -1.6997    0.2216 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4355    1.7142    0.5078 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0641    2.6599   -1.0691 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6842    4.0674    0.1030 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3416    2.4220   -0.0197 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6568    3.4585    2.2503 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7672    1.9417    2.2927 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6841    4.7642    2.5507 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5661    3.4582    3.7274 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4409    3.9910    2.4250 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9036    2.2941    2.4132 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  9  2  0  0  0  0
  1 17  1  0  0  0  0
  2  3  2  0  0  0  0
  2 18  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 21  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  1  0  0  0  0
 11 22  1  6  0  0  0
 12 13  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 14  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 14 15  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 16  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-10-27, 1413👍, 0💬