Molecule FYI-1003835

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A

Molecule Summary:

ID: FYI-1003835
Names:
InChIKey: MDXFMSBAZPHUKZ-UHFFFAOYSA-N
SMILES: O=C3c1ccccc1C4=Nc2ccccc2OC34O

Received at FYIcenter.com on: 2023-07-31

Molecule ID: FYI-1003835 Edit

Molecule Structure InChIKey: MDXFMSBAZPHUKZ-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C3c1ccccc1C4=Nc2ccccc2OC34O

Download SDF Download SVG Structure in 2D SDF:

FYI-1003835
FYIcenter.com

 19 22  0  0  0  0  0  0  0  0999 V2000
    5.1956    5.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9832    4.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8369    5.9716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5579    6.5410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4253    5.7181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1463    6.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.6799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    8.5028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4116    7.9334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5716    4.3257    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8506    3.7563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2832    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5832    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2832    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6832    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3832    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6832    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1158    3.7563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4473    4.1889    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  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  4  1  0  0  0  0
 10  5  1  0  0  0  0
 11 10  2  0  0  0  0
 11  2  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 17 12  1  0  0  0  0
 18 17  1  0  0  0  0
 18  2  1  0  0  0  0
 19 18  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003835-3D
FYIcenter.com

 28 31  0     1  0  0  0  0  0999 V2000
   -1.1158    1.3932    0.4137 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1694    1.2044   -1.7302 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5783    2.7586    0.2699 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6640   -1.3990   -0.0915 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0044    0.9740   -0.3349 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2674   -0.5115   -0.1778 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6994   -0.7315   -0.0663 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3328    0.5019    0.0933 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3419    1.5865    0.0487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1694    0.5125    0.2748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9623   -0.8522   -0.0123 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4005   -1.9199   -0.0379 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6980    0.5959    0.2767 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7846   -1.8418    0.1387 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4268   -0.5969    0.2941 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4555    1.0204    0.4530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0731   -1.6895   -0.1423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5529    0.1722    0.3158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3630   -1.1772    0.0146 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9080   -2.8796   -0.1440 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1946    1.5510    0.4028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5049    0.3959   -2.1528 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3758   -2.7536    0.1631 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5043   -0.5665    0.4339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6094    2.0701    0.6861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9418   -2.7476   -0.3544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5587    0.5618    0.4447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2217   -1.8347   -0.0874 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 10  1  0  0  0  0
  2  5  1  0  0  0  0
  2 22  1  0  0  0  0
  3  9  2  0  0  0  0
  4  6  2  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  8  9  1  0  0  0  0
  8 13  2  0  0  0  0
 10 11  1  0  0  0  0
 10 16  2  0  0  0  0
 11 17  2  0  0  0  0
 12 14  1  0  0  0  0
 12 20  1  0  0  0  0
 13 15  1  0  0  0  0
 13 21  1  0  0  0  0
 14 15  2  0  0  0  0
 14 23  1  0  0  0  0
 15 24  1  0  0  0  0
 16 18  1  0  0  0  0
 16 25  1  0  0  0  0
 17 19  1  0  0  0  0
 17 26  1  0  0  0  0
 18 19  2  0  0  0  0
 18 27  1  0  0  0  0
 19 28  1  0  0  0  0
M  END
$$$$

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2023-08-09, 1032👍, 0💬