Molecule FYI-1007006

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A

Molecule Summary:

ID: FYI-1007006
Names:
InChIKey: ISFMXVMWEWLJGJ-UHFFFAOYSA-N
SMILES: C/C(C)=C\\1CC23OC1(O)C=C(C)C2CCC3C

Received at FYIcenter.com on: 2024-01-24

Molecule ID: FYI-1007006 Edit

Molecule Structure InChIKey: ISFMXVMWEWLJGJ-UHFFFAOYSA-N

Molecule Structure SMILES String: C/C(C)=C\1CC23OC1(O)C=C(C)C2CCC3C

Download SDF Download SVG Structure in 2D SDF:

FYI-1007006
FYIcenter.com

 19 21  0  0  0  0  0  0  0  0999 V2000
    6.7200    0.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5614    1.2004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7292    0.1968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3833    1.3445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3264    0.5915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7279    1.2357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3015    2.1985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4332    3.1629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2477    2.6351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1238    3.2839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1238    4.5816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0021    1.2703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1543    0.1355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5708    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3553    1.7620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2196    3.0525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9503    3.3223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7602    2.4083    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  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
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
  7 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
  2 18  1  0  0  0  0
  7 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007006-3D
FYIcenter.com

 39 41  0     1  0  0  0  0  0999 V2000
    0.4328   -0.4020    1.1255 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5811    0.3303    2.1321 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8754   -0.6276   -0.2306 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4351    0.7268   -0.7526 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0906   -1.5533   -0.3008 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3908   -1.1277   -0.9357 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8862    0.7575   -0.2367 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2274   -0.6651    0.2121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7999    0.3387    0.9500 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6225    1.9270   -0.2998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4680   -0.4015   -0.1802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4359    1.7375    0.5118 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9774   -2.8398    0.5065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7756   -0.4662   -0.4525 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0143    3.2754   -0.8199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7954    0.2908    0.3498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3148   -1.3007   -1.5790 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4567    0.7023   -1.8507 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2898   -1.8093   -1.3501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5178   -2.2060   -0.7954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3773   -0.8956   -2.0046 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0269    1.4535    0.5985 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5608    1.0789   -1.0388 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1997   -0.9881   -0.1744 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2860   -0.6947    1.3072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0624    2.5688    0.8196 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1756   -3.4774    0.1226 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9108   -3.4099    0.4484 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7742   -2.6412    1.5639 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9997    3.2782   -1.9145 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0216    3.5409   -0.4849 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3322    4.0600   -0.4762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0293   -0.5293    2.2025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6175    0.6120   -0.3007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2199   -0.3487    1.1299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4067    1.2070    0.8009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0532   -2.0122   -1.1940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8091   -0.6598   -2.3168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5537   -1.8808   -2.1072 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  9  1  0  0  0  0
  2  9  1  0  0  0  0
  2 33  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 10  1  0  0  0  0
  4 18  1  0  0  0  0
  5  8  1  0  0  0  0
  5 13  1  0  0  0  0
  5 19  1  0  0  0  0
  6 11  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 12  2  0  0  0  0
 10 15  1  0  0  0  0
 11 14  2  0  0  0  0
 12 26  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  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 34  1  0  0  0  0
 16 35  1  0  0  0  0
 16 36  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
 17 39  1  0  0  0  0
M  END
$$$$

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2024-01-31, 1525👍, 0💬