Molecule FYI-1014906

A

Molecule Summary:

ID: FYI-1014906
Names:
InChIKey: JZRGDONPOCTWIV-BJDJZHNGSA-N
SMILES: CC(O)c2cc1cc(C(C)O)c(C(C)O)cc1cc2C(C)O

Received at FYIcenter.com on: 2025-06-07

Molecule ID: FYI-1014906 Edit

Molecule Structure InChIKey: JZRGDONPOCTWIV-BJDJZHNGSA-N

Molecule Structure SMILES String: CC(O)c2cc1cc(C(C)O)c(C(C)O)cc1cc2C(C)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1014906
FYIcenter.com

 46 47  0  0  1  0  0  0  0  0999 V2000
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   11.9000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   10.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.1000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.2000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1497    9.2876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5497   11.7124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3995    8.9124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9995    6.4876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7622    2.6124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3622    0.1876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    2.9876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    5.4124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  3  2  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  1  2  0  0  0  0
  7  4  2  0  0  0  0
  7  8  1  0  0  0  0
  8 14  1  0  0  0  0
  9  8  2  0  0  0  0
 10  5  2  0  0  0  0
 10  9  1  0  0  0  0
 11  9  1  0  0  0  0
 11 13  1  0  0  0  0
 11 31  1  1  0  0  0
 12 11  1  0  0  0  0
 13 33  1  0  0  0  0
 14 35  1  6  0  0  0
 14 16  1  0  0  0  0
 15 24  1  0  0  0  0
 15 14  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 16 36  1  0  0  0  0
 17  2  1  0  0  0  0
 17 19  1  0  0  0  0
 17 39  1  1  0  0  0
 18 17  1  0  0  0  0
 19 41  1  0  0  0  0
 20 43  1  6  0  0  0
 20 22  1  0  0  0  0
 21 26  1  0  0  0  0
 21 20  1  0  0  0  0
 22 45  1  0  0  0  0
 22 46  1  0  0  0  0
 22 44  1  0  0  0  0
 23 12  1  0  0  0  0
 25 18  1  0  0  0  0
 27  3  1  0  0  0  0
 28  6  1  0  0  0  0
 29  7  1  0  0  0  0
 30 10  1  0  0  0  0
 32 13  1  0  0  0  0
 34 13  1  0  0  0  0
 40 19  1  0  0  0  0
 42 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014906-3D
FYIcenter.com

 46 47  0  0  1  0  0  0  0  0999 V2000
    3.1620    0.0519   -1.3229 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5348    0.1726    0.0606 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.1191    0.2553   -0.0592 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9369   -0.8996    1.0684 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6180   -0.4426    2.2286 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0195   -1.3056    3.2656 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7385   -0.8751    4.3989 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1490   -1.7638    5.4224 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0001   -1.2525    6.5720 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.9634   -0.1174    6.2196 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1462   -0.8339    7.6300 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7466   -3.1196    5.3373 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9827   -4.1528    6.4304 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.8061   -4.2337    7.4022 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2071   -5.4375    5.8358 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0350   -3.5355    4.1948 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7001   -2.6592    3.1602 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0500   -3.1294    2.0128 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6680   -2.2886    0.9459 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0387   -2.9212   -0.2872 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.8142   -4.4372   -0.2582 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7912   -2.2812   -0.5596 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9324    0.9482   -1.9103 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7486   -0.7789   -1.8982 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2484   -0.0594   -1.2652 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8411    1.1514    0.4507 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8235   -0.6341   -0.3501 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8390    0.6200    2.3286 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9881    0.1817    4.4655 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6268   -2.0590    6.9606 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4362    0.8205    6.0125 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5836   -0.3742    5.3557 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6228    0.0926    7.0695 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6833   -0.0340    7.3277 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8977   -3.9455    6.9864 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8588   -4.3882    6.8717 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7156   -3.3215    7.9985 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9251   -5.0859    8.0814 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4298   -5.9942    6.0116 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7410   -4.5804    4.1085 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8481   -4.1968    1.9713 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7081   -2.7318   -1.1307 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1761   -4.7321    0.5821 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7644   -4.9804   -0.1840 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3014   -4.7682   -1.1680 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0856   -2.8501   -0.2036 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  4 19  2  0  0  0  0
  5  6  2  0  0  0  0
  5 28  1  0  0  0  0
  6  7  1  0  0  0  0
  6 17  1  0  0  0  0
  7  8  2  0  0  0  0
  7 29  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 30  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 35  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16 17  1  0  0  0  0
 16 40  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 41  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 42  1  0  0  0  0
 21 43  1  0  0  0  0
 21 44  1  0  0  0  0
 21 45  1  0  0  0  0
 22 46  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-06-21, 1274👍, 0💬