Molecule FYI-1002286

A

Molecule Summary:

ID: FYI-1002286
Names:
InChIKey: MTAMNOLZFGRVQH-UHFFFAOYSA-N
SMILES: CC1(C)C=Cc2c(O1)c(C=O)cc4c2[nH]c3cc(O)ccc34

Received at FYIcenter.com on: 2023-02-21

Molecule ID: FYI-1002286 Edit

Molecule Structure InChIKey: MTAMNOLZFGRVQH-UHFFFAOYSA-N

Molecule Structure SMILES String: CC1(C)C=Cc2c(O1)c(C=O)cc4c2[nH]c3cc(O)ccc34

Download SDF Download SVG Structure in 2D SDF:

FYI-1002286
FYIcenter.com

 22 25  0  0  0  0  0  0  0  0999 V2000
    5.6367    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0672    1.2789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6749    1.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1055    2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9284    3.8369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3207    3.6906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8902    4.9695    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    5.9063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.9063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.3063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.0063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8902    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.3063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.0063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.3063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.0063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.4063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   10.1063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5498   11.3187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1498   11.3187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.4063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  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
  9  8  2  0  0  0  0
  9  5  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13  2  1  0  0  0  0
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 15 11  1  0  0  0  0
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 16  8  1  0  0  0  0
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 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 19  1  0  0  0  0
 22 19  1  0  0  0  0
 22 15  1  0  0  0  0
 13  6  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002286-3D
FYIcenter.com

 37 40  0     0  0  0  0  0  0999 V2000
   -3.3065    0.2843    0.0047 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1599   -1.0041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7615    3.9570    0.0011 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3002   -1.5203    0.0012 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9527   -1.0081   -0.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2656   -0.6103    0.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1281   -0.7903    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8491    0.6604   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9403    0.3462    0.0022 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2695    0.4855   -0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5191   -0.8856    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0369   -2.2113    0.0013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7051   -2.1185    0.0034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3808    1.6219    0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0076    1.7929   -0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8417   -1.0489    1.2471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8284   -1.0443   -1.2598 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3676    1.3712   -0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8125   -1.4203    0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6673    0.8523   -0.0014 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8842   -0.5235   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2207    2.8138    0.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4918   -3.1990    0.0013 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1827   -2.5238    0.0021 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4547    2.7834   -0.0021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4367   -1.9674    1.2986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2366   -0.9792    2.1592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5270   -0.1933    1.2667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2137   -0.9712   -2.1651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4226   -1.9626   -1.3209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5135   -0.1886   -1.2834 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2144    2.4467   -0.0029 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9763   -2.4932    0.0016 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5068    1.5434   -0.0020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3135    2.6709    0.0026 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7800   -0.2548   -0.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  9  1  0  0  0  0
  2 21  1  0  0  0  0
  2 37  1  0  0  0  0
  3 22  2  0  0  0  0
  4  6  1  0  0  0  0
  4 11  1  0  0  0  0
  4 24  1  0  0  0  0
  5 12  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 13  1  0  0  0  0
  8 10  1  0  0  0  0
  8 15  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  2  0  0  0  0
 10 18  1  0  0  0  0
 11 19  1  0  0  0  0
 12 13  2  0  0  0  0
 12 23  1  0  0  0  0
 13 25  1  0  0  0  0
 14 15  2  0  0  0  0
 14 22  1  0  0  0  0
 15 26  1  0  0  0  0
 16 27  1  0  0  0  0
 16 28  1  0  0  0  0
 16 29  1  0  0  0  0
 17 30  1  0  0  0  0
 17 31  1  0  0  0  0
 17 32  1  0  0  0  0
 18 20  2  0  0  0  0
 18 33  1  0  0  0  0
 19 21  2  0  0  0  0
 19 34  1  0  0  0  0
 20 21  1  0  0  0  0
 20 35  1  0  0  0  0
 22 36  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-03-17, 1049👍, 0💬