Molecule FYI-1005742

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A

Molecule Summary:

ID: FYI-1005742
Names:
InChIKey: WTNSOAMJOANJTH-XVNBXDOJSA-N
SMILES: CC=C(C)C(=O)OC1CC2C(C(C1)N2CO)O

Received at FYIcenter.com on: 2023-11-11

Molecule ID: FYI-1005742 Edit

Molecule Structure InChIKey: WTNSOAMJOANJTH-XVNBXDOJSA-N

Molecule Structure SMILES String: CC=C(C)C(=O)OC1CC2C(C(C1)N2CO)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1005742
FYIcenter.com

 36 37  0     1  0  0  0  0  0999 V2000
    9.5813   -0.6794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2267   -1.0779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7386    3.2512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8191   -2.7055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7386    1.5191    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4752    0.5365    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2164   -0.4294    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.6154   -0.4206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4420    0.2254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9954   -1.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1664   -0.7359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2386    2.3851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0530   -2.0627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1133   -2.4048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3473   -1.7620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9397   -3.3896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.7316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9256    0.9627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4065   -1.0196    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5364   -1.0356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4370    0.8453    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8277    0.3091    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0908   -1.3513    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7637    2.7837    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7637    1.9866    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7418   -1.2783    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4286    3.7881    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7458   -1.2870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8724   -1.3634    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9488   -2.2369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4146   -3.7881    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -3.1490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4174   -3.9436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2120   -4.3142    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 28  1  0  0  0  0
  2 11  1  0  0  0  0
  2 13  1  0  0  0  0
  3 12  1  0  0  0  0
  3 29  1  0  0  0  0
  4 13  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 12  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 11  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 11  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 16 17  1  0  0  0  0
 16 33  1  0  0  0  0
 17 34  1  0  0  0  0
 17 35  1  0  0  0  0
 17 36  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005742-3D
FYIcenter.com

 36 37  0     1  0  0  0  0  0999 V2000
   -3.5187    1.9132   -0.3544 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8126    0.4135    0.4473 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1041   -3.2085   -0.6950 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1674    1.9007   -0.6723 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8181   -1.0125    0.1896 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4033    0.0736    1.0393 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0909   -0.1170   -0.9800 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.2660    0.5076   -0.1781 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3073    1.1005    1.3819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9130    0.8597   -1.1603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3198    1.2590    0.2078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6342   -2.2223    0.1778 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9964    0.8611   -0.0516 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0736   -0.1235    0.2705 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9608   -0.9114    1.5418 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0864   -0.1958   -0.6127 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2782   -1.0978   -0.5516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9701   -0.2529    1.9179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3774   -0.6135   -1.9134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2119   -0.0384   -0.2740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7781    2.0640    1.6096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7742    0.7813    2.2857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1528    0.3961   -1.8002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2678    1.7540   -1.6858 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0095    2.3053    0.1869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6293   -2.6564    1.1840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6804   -2.0649   -0.1023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1383    2.1469    0.3576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6690   -3.9961   -0.6157 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5976   -0.2739    2.3555 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2587   -1.7415    1.4142 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9187   -1.3196    1.8741 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0679    0.4406   -1.4963 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1857   -0.5046   -0.4036 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3756   -1.6378   -1.4991 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2200   -1.8444    0.2432 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 28  1  0  0  0  0
  2 11  1  0  0  0  0
  2 13  1  0  0  0  0
  3 12  1  0  0  0  0
  3 29  1  0  0  0  0
  4 13  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 12  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 11  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 11  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 16 17  1  0  0  0  0
 16 33  1  0  0  0  0
 17 34  1  0  0  0  0
 17 35  1  0  0  0  0
 17 36  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-18, 316👍, 0💬