Molecule FYI-1005892

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Molecule Summary:

ID: FYI-1005892
Names:
InChIKey: IVFBZLRQSYYTCB-JMTYFUNVSA-N
SMILES: C1C(CC2C3C(C1N2)O3)O

Received at FYIcenter.com on: 2023-11-19

Molecule ID: FYI-1005892 Edit

Molecule Structure InChIKey: IVFBZLRQSYYTCB-JMTYFUNVSA-N

Molecule Structure SMILES String: C1C(CC2C3C(C1N2)O3)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1005892
FYIcenter.com

 21 23  0     1  0  0  0  0  0999 V2000
    2.0000   -1.0740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3728   -1.0796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8802    1.2931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9853   -1.2474    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6433   -0.3078    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3580   -0.6554    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6168    0.3105    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6297   -1.4501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0485    0.1128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4068   -0.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1973   -1.8300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4312    0.2749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1380   -1.4765    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8368    1.1315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5702    1.8300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2451   -1.9364    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706   -1.8859    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6563    0.2352    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0294    0.7325    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8217   -0.3600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8112   -0.6412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  1  0  0  0
  5  1  1  1  0  0  0
  2 10  1  0  0  0  0
  2 21  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 15  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 11  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 13  1  1  0  0  0
  7  9  1  0  0  0  0
  7 14  1  6  0  0  0
  8 10  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 10  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005892-3D
FYIcenter.com

 21 23  0     1  0  0  0  0  0999 V2000
   -2.4843    0.0056   -0.4560 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0035    0.0054   -0.3793 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6294   -0.0022    1.4031 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2828   -0.7376   -0.7038 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2791    0.7437   -0.7014 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4784   -1.1640    0.4978 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4723    1.1619    0.5018 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0158   -1.2909    0.1558 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0227    1.2822    0.1606 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5842   -0.0041   -0.4784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1715   -1.3023   -1.6138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1651    1.3108   -1.6095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8666   -2.0793    0.9540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8558    2.0775    0.9610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5804   -0.0004    1.7751 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5812   -1.5391    1.0639 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1783   -2.1265   -0.5364 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1891    2.1201   -0.5280 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5882    1.5248    1.0702 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3426   -0.0017   -1.5480 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2384   -0.0081    0.5642 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2 10  1  0  0  0  0
  2 21  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 15  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 11  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 13  1  0  0  0  0
  7  9  1  0  0  0  0
  7 14  1  0  0  0  0
  8 10  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 10  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-25, 495👍, 0💬