Molecule FYI-1003578

Home > Molecule

A

Molecule Summary:

ID: FYI-1003578
Names:
InChIKey: XMGIXAOKEUCYJC-CABCVRRESA-N
SMILES: O[C@]24COc1ccccc1C2Oc3ccccc34

Received at FYIcenter.com on: 2023-07-04

Molecule ID: FYI-1003578 Edit

Molecule Structure InChIKey: XMGIXAOKEUCYJC-CABCVRRESA-N

Molecule Structure SMILES String: O[C@]24COc1ccccc1C2Oc3ccccc34

Download SDF Download SVG Structure in 2D SDF:

FYI-1003578
FYIcenter.com

 19 22  0  0  0  0  0  0  0  0999 V2000
    1.2125    2.6484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    5.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.6484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.4484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9284    1.2790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3207    1.1326    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
    6.1436    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5360    0.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1054    1.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2825    2.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.9484    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.0484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  8 13  1  0  0  0  0
  7 11  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 13 17  2  0  0  0  0
 12 14  2  0  0  0  0
  7 18  1  1  0  0  0
  8 19  1  1  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003578-3D
FYIcenter.com

 30 33  0  0  1  0  0  0  0  0999 V2000
    0.7954   -0.1975   -0.2433 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5102   -0.2801    0.9869 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5602   -0.3608    2.2162 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7045    0.7024    3.1800 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8205    1.8999    2.5327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1379    2.8753    2.7753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1793    3.9958    1.9531 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7771    4.1625    0.9463 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7822    3.2094    0.7586 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7966    2.0516    1.5435 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5772    0.8214    1.1455 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5564    0.3055    2.0928 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5531   -1.0482    1.7861 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4740   -1.9827    2.2025 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2917   -3.3103    1.7843 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2198   -3.6723    0.9482 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2767   -2.7216    0.5653 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4472   -1.4319    1.0289 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3123    0.6573   -0.2308 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7209   -1.2849    2.7854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4868   -0.3763    1.8919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8917    2.7195    3.5420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9799    4.7224    2.0704 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7113    5.0207    0.2801 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4857    3.3330   -0.0636 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1110    1.0251    0.2039 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3000   -1.7127    2.8524 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9847   -4.0821    2.1130 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1029   -4.7033    0.6227 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4218   -2.9832   -0.0511 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  2 18  1  0  0  0  0
  3  4  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  2  0  0  0  0
  6  7  2  0  0  0  0
  6 22  1  0  0  0  0
  7  8  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  2  0  0  0  0
  8 24  1  0  0  0  0
  9 10  1  0  0  0  0
  9 25  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 26  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 18  2  0  0  0  0
 14 15  2  0  0  0  0
 14 27  1  0  0  0  0
 15 16  1  0  0  0  0
 15 28  1  0  0  0  0
 16 17  2  0  0  0  0
 16 29  1  0  0  0  0
 17 18  1  0  0  0  0
 17 30  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-08-09, 1501👍, 0💬