Molecule FYI-1000299

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Molecule Summary:

ID: FYI-1000299
SMILES: O=CC(O)C(O)C(O)CO

Received at FYIcenter.com on: 2021-03-21

Molecule ID: FYI-1000299 Edit

Molecule Structure SMILES String: O=CC(O)C(O)C(O)CO

Download SDF Download SVG Structure in 2D SDF:

FYI-1000299
FYIcenter.com

 11 12  0  0  0  0  0  0  0  0999 V2000
    2.6175    1.0015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3811    2.4268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6478    1.6279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8487    3.6155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8629    4.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7859    3.7409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1061    2.5044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1492    1.2351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2276    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5641    2.1567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  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
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 11  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000299-3D
FYIcenter.com

 20 19  0  0  1  0  0  0  0  0999 V2000
    3.1302   -0.4889    2.9931 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5078   -1.0633    2.0967 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9530   -1.0742    0.6450 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.2105   -0.0652   -0.0420 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4666   -0.8059    0.5090 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.7881    0.4932    1.0285 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3162   -1.9102    1.1618 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9727   -3.1695    0.5690 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8236   -1.6418    1.0348 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5619   -2.7381    1.5778 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5512   -1.5679    2.3053 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6862   -2.0438    0.2149 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6625    0.7800    0.1499 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6979   -0.7662   -0.5629 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5077    0.5044    1.9706 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0875   -1.9986    2.2291 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6924   -3.4135   -0.0442 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1188   -0.7298    1.5624 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1177   -1.5535   -0.0156 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2345   -2.8970    2.4815 H   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
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 10  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-05-31, 2392👍, 0💬