Molecule FYI-1006989

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A

Molecule Summary:

ID: FYI-1006989
Names:
InChIKey: YQUVCSBJEUQKSH-UHFFFAOYSA-N
SMILES: O=C(O)c1ccc(O)c(O)c1

Received at FYIcenter.com on: 2024-01-24

Molecule ID: FYI-1006989 Edit

Molecule Structure InChIKey: YQUVCSBJEUQKSH-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)c1ccc(O)c(O)c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1006989
FYIcenter.com

 17 17  0  0  0  0  0  0  0  0999 V2000
    0.8681    2.1181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6686    0.5012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0688    7.7770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2684    7.7770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6686    5.3518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2684    4.5433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2684    2.9265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0688    4.5433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6686    2.1181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0688    2.9265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6686    6.9686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4002    5.0446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9371    5.0446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9371    2.4253    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6193    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5367    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0688    8.7795    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 15  1  0  0  0  0
  2  9  1  0  0  0  0
  2 16  1  0  0  0  0
  3 11  1  0  0  0  0
  3 17  1  0  0  0  0
  4 11  2  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006989-3D
FYIcenter.com

 17 17  0     0  0  0  0  0  0999 V2000
   -2.2020    1.8803    0.0009 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1994   -0.7136    0.0004 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0463   -0.9893    0.0021 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8870    1.2781   -0.0003 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8998   -0.0540   -0.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0228    1.0307   -0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3552    0.8134    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3990   -1.3559   -0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8558   -0.4886    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9788   -1.5733   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3364    0.1723   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3994    2.0508   -0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0458   -2.2288   -0.0012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3559   -2.5926   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1157    1.5456    0.0014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3599   -1.6729    0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0136   -0.8258    0.0033 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 15  1  0  0  0  0
  2  9  1  0  0  0  0
  2 16  1  0  0  0  0
  3 11  1  0  0  0  0
  3 17  1  0  0  0  0
  4 11  2  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 14  1  0  0  0  0
M  END
$$$$

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2024-01-31, 259👍, 0💬