Molecule FYI-1013008

A

Molecule Summary:

ID: FYI-1013008
Names:
InChIKey: WYUFTYLVLQZQNH-CBQIKETKSA-N
SMILES: CCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

Received at FYIcenter.com on: 2024-11-07

Molecule ID: FYI-1013008 Edit

Molecule Structure InChIKey: WYUFTYLVLQZQNH-CBQIKETKSA-N

Molecule Structure SMILES String: CCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

Download SDF Download SVG Structure in 2D SDF:

FYI-1013008
FYIcenter.com

 14 14  0  0  1  0  0  0  0  0999 V2000
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7  2  1  0  0  0  0
  6  8  1  6  0  0  0
  9  8  1  1  0  0  0
  5 10  1  6  0  0  0
  4 11  1  1  0  0  0
  3 12  1  6  0  0  0
 13  1  1  0  0  0  0
  9 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013008-3D
FYIcenter.com

 30 30  0     1  0  0  0  0  0999 V2000
    0.5289   -0.5659   -1.0486 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4040    1.2169    0.2462 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0147    1.1024    0.2591 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1397   -1.4061    1.3516 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7937    2.8123   -0.4610 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3518   -3.0986   -0.4479 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6427    0.7139    0.3602 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5609   -0.8051    0.1957 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8427    1.4166   -0.7348 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1073   -1.2673    0.0259 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5727    0.8490   -0.8530 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0134   -2.7562   -0.2966 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7096    0.6771    0.1101 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5483    1.1110    1.2932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2997    1.0259    1.3544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1560   -1.1137   -0.6736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3683    1.2909   -1.6894 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4585   -1.0908    0.9501 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0256    1.2857   -1.7521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5245   -2.9957   -1.2350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4391   -3.3692    0.5029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4784    0.7530    1.0385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0922   -1.2129    1.3406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2865    2.9356    0.3596 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6838   -0.4169    0.0839 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1678    1.0422   -0.8159 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7164   -2.5469   -1.1610 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5656    0.7167    1.2176 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5965    2.2034    1.3519 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1026    0.7612    2.2303 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2 11  1  0  0  0  0
  2 13  1  0  0  0  0
  3  7  1  0  0  0  0
  3 22  1  0  0  0  0
  4  8  1  0  0  0  0
  4 23  1  0  0  0  0
  5  9  1  0  0  0  0
  5 24  1  0  0  0  0
  6 12  1  0  0  0  0
  6 27  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 15  1  0  0  0  0
  8 10  1  0  0  0  0
  8 16  1  0  0  0  0
  9 11  1  0  0  0  0
  9 17  1  0  0  0  0
 10 12  1  0  0  0  0
 10 18  1  0  0  0  0
 11 19  1  0  0  0  0
 12 20  1  0  0  0  0
 12 21  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 28  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
M  END
$$$$

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2024-11-23, 1455👍, 0💬