Molecule FYI-1002297

A

Molecule Summary:

ID: FYI-1002297
Names:
InChIKey: ZFGCWYTXGWTIFX-YCRREMRBSA-N
SMILES: Cc2cc3/C(C(=O)O)=C\\CC1CC1c4c(C=O)[nH]n2c34

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

Molecule ID: FYI-1002297 Edit

Molecule Structure InChIKey: ZFGCWYTXGWTIFX-YCRREMRBSA-N

Molecule Structure SMILES String: Cc2cc3/C(C(=O)O)=C\CC1CC1c4c(C=O)[nH]n2c34

Download SDF Download SVG Structure in 2D SDF:

FYI-1002297
FYIcenter.com

 20 23  0  0  0  0  0  0  0  0999 V2000
    3.7381    7.4390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4225    4.0813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1581    1.9426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4195    6.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5738    2.6909    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6036    3.5592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3163    2.1437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9257    6.0531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3112    3.5423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8825    1.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2749    5.6245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0974    4.2372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7482    4.6657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9429    2.4051    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0322    6.9085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2112    4.7806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5967    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9909    3.3817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5199    4.2460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2 14  2  0  0  0  0
  3 19  1  0  0  0  0
  4 12  1  0  0  0  0
  5  2  1  0  0  0  0
  5 15  1  0  0  0  0
  6 19  2  0  0  0  0
  7  9  2  0  0  0  0
  8  1  1  0  0  0  0
  8 16  1  0  0  0  0
  9 20  1  0  0  0  0
 11  3  2  0  0  0  0
 13  9  1  0  0  0  0
 13 12  2  0  0  0  0
 14  6  1  0  0  0  0
 14  8  1  0  0  0  0
 15 11  1  0  0  0  0
 15  6  1  0  0  0  0
 16  1  1  0  0  0  0
 16  4  1  0  0  0  0
 17  2  1  0  0  0  0
 17 10  2  0  0  0  0
 18 11  1  0  0  0  0
 19 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002297-3D
FYIcenter.com

 34 37  0  0  1  0  0  0  0  0999 V2000
    1.9127   -0.3628   -0.4259 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3269   -0.3415   -0.8575 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1211   -1.2466   -1.5570 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4602   -0.7065   -1.6517 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5561   -1.1804   -2.4650 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5645   -2.5198   -3.1382 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5399   -3.2558   -3.1729 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4332   -2.7983   -3.8215 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6564   -0.4668   -2.8046 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9755    0.9395   -2.4343 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5816    1.1201   -1.0712 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4256    0.1521    0.0937 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6450    1.4347    0.0631 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.1956    1.4209   -0.1406 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2798    2.3712    0.1694 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    3.7700    0.5289 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7379    4.6402    0.5859 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9572    1.9352   -0.0126 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1419    0.7014   -0.5719 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4471    0.3761   -0.7776 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5378   -1.3877   -0.3574 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2860    0.1961   -1.1271 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8033    0.0929    0.5659 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7456   -2.1735   -1.9708 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8151   -2.0468   -3.8678 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4165   -0.9255   -3.4486 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0864    1.5720   -2.5558 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6680    1.3546   -3.1785 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5216    1.6543   -1.1212 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2356    0.0837    0.8152 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9045   -0.7911   -0.0137 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9902    2.1755    0.7821 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6681    4.0049    0.6592 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4469    2.5942   -0.5985 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2  3  2  0  0  0  0
  2 19  1  0  0  0  0
  3  4  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  4 20  2  0  0  0  0
  5  6  1  0  0  0  0
  5  9  2  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8 25  1  0  0  0  0
  9 10  1  0  0  0  0
  9 26  1  0  0  0  0
 10 11  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 29  1  0  0  0  0
 12 13  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 14  1  0  0  0  0
 13 32  1  0  0  0  0
 14 15  2  0  0  0  0
 14 20  1  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 16 33  1  0  0  0  0
 18 19  1  0  0  0  0
 18 34  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-03-17, 1568👍, 0💬