Molecule FYI-1006745

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A

Molecule Summary:

ID: FYI-1006745
Names:
InChIKey: YMJZXOVVRVNBGL-DTWKUNHWSA-N
SMILES: C=CC[C@H](COC)[C@@H](C)C=O

Received at FYIcenter.com on: 2024-01-13

Molecule ID: FYI-1006745 Edit

Molecule Structure InChIKey: YMJZXOVVRVNBGL-DTWKUNHWSA-N

Molecule Structure SMILES String: C=CC[C@H](COC)[C@@H](C)C=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1006745
FYIcenter.com

 11 10  0  0  0  0  0  0  0  0999 V2000
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   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
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  3  4  1  6  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  5  9  1  6  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006745-3D
FYIcenter.com

 27 26  0  0  1  0  0  0  0  0999 V2000
    7.2823   -1.6774    1.8487 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4596   -0.8200    1.2323 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9951   -1.0722    0.9864 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6164   -1.0118   -0.5151 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0869   -1.1245   -0.7060 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4085   -0.1598    0.0998 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9991   -0.2160   -0.1009 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3795   -2.0685   -1.3585 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0400   -3.5211   -1.0249 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1677   -1.8119   -2.8391 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2944   -2.3472   -3.5112 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3301   -1.4317    2.0014 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9345   -2.6346    2.2237 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8563    0.1363    0.8917 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4411   -0.3070    1.5435 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6917   -2.0361    1.4127 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9047   -0.0117   -0.8733 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8244   -0.9443   -1.7550 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7345   -2.1196   -0.4190 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5131    0.3457    0.7012 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6335   -1.2479   -0.0718 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7404    0.2445   -1.0589 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4607   -1.9466   -1.2062 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9883   -3.7545   -1.2232 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2519   -3.7553    0.0220 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6356   -4.2027   -1.6412 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8396   -1.0586   -3.2885 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2  3  1  0  0  0  0
  2 14  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  4  8  1  0  0  0  0
  4  5  1  0  0  0  0
  4  3  1  0  0  0  0
  4 17  1  6  0  0  0
  5  6  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6  7  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 23  1  1  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 11  2  0  0  0  0
 10 27  1  0  0  0  0
M  END
$$$$

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2024-01-24, 786👍, 0💬