Molecule FYI-1009755

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A

Molecule Summary:

ID: FYI-1009755
Names:
InChIKey: ZWWGFLJHBCRXBV-UHFFFAOYSA-N
SMILES: CC(=O)NCCC2(C)CNC1=CCC(O)C=C12

Received at FYIcenter.com on: 2024-05-17

Molecule ID: FYI-1009755 Edit

Molecule Structure InChIKey: ZWWGFLJHBCRXBV-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(=O)NCCC2(C)CNC1=CCC(O)C=C12

Download SDF Download SVG Structure in 2D SDF:

FYI-1009755
FYIcenter.com

 17 18  0  0  0  0  0  0  0  0999 V2000
    3.5104    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5736    1.0405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0062    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    3.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    4.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    5.3741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3337    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.1213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2674    1.7898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2041    0.7494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3900    4.0422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    5.5047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    4.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    5.5047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    4.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    5.5047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    3.4047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  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
  8  4  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 10  2  1  0  0  0  0
 11  5  1  0  0  0  0
 12  5  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 15  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009755-3D
FYIcenter.com

 37 38  0  0  1  0  0  0  0  0999 V2000
    0.8599   -0.8320   -0.7972 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3543   -0.9846   -0.7685 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9104   -1.9435   -0.2443 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0309    0.0463   -1.3861 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4774    0.0655   -1.3638 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0637    1.2422   -2.1447 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6139    1.2526   -2.1920 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2291    1.2784   -0.7817 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1750    0.0328   -2.9959 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7199    0.6084   -4.2161 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8082    1.9660   -4.1659 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4545    2.7883   -4.9952 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4781    4.2807   -4.7876 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5904    4.8083   -3.6302 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.4891    5.5415   -4.1677 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0045    3.7618   -2.7268 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1167    2.4523   -2.9949 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3984   -1.6821   -0.2863 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5095   -0.8101   -1.8323 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5685    0.0877   -0.2831 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5218    0.8825   -1.6452 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8200   -0.8916   -1.7681 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7780    0.1064   -0.3121 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7000    2.1739   -1.6896 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6616    1.2334   -3.1667 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0303    0.3492   -0.2381 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8303    2.1082   -0.1871 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3186    1.3970   -0.8238 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4059   -0.6971   -3.2636 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9658   -0.4919   -2.4479 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    0.1215   -4.6885 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9914    2.3908   -5.8501 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1911    4.7648   -5.7293 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5189    4.5655   -4.5896 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1768    5.5118   -3.0301 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9550    4.9002   -4.6661 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4795    4.1065   -1.8421 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 21  1  0  0  0  0
  5  6  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6  7  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 17  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 10  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 11  1  0  0  0  0
 10 31  1  0  0  0  0
 11 12  2  0  0  0  0
 11 17  1  0  0  0  0
 12 13  1  0  0  0  0
 12 32  1  0  0  0  0
 13 14  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 17  2  0  0  0  0
 16 37  1  0  0  0  0
M  END
$$$$

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2024-05-22, 1328👍, 0💬