Molecule FYI-1007399

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A

Molecule Summary:

ID: FYI-1007399
Names:
InChIKey: LLSFWMVXUAVSHL-UHFFFAOYSA-N
SMILES: O=C(O)C1=CC(O)C(O)C(O)=C1

Received at FYIcenter.com on: 2024-02-20

Molecule ID: FYI-1007399 Edit

Molecule Structure InChIKey: LLSFWMVXUAVSHL-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)C1=CC(O)C(O)C(O)=C1

Download SDF Download SVG Structure in 2D SDF:

FYI-1007399
FYIcenter.com

 12 12  0  0  0  0  0  0  0  0999 V2000
    3.6374    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.0000    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
    1.2124    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  5  1  0  0  0  0
  9  4  1  0  0  0  0
 10  2  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007399-3D
FYIcenter.com

 20 20  0     1  0  0  0  0  0999 V2000
    2.3905    0.1442   -1.4758 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3241   -2.2179    0.9791 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9510    2.1411    0.7225 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7512    1.3616   -0.3814 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1894   -0.8292    0.1068 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9307   -0.1578   -0.1570 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0812   -1.4495   -0.1994 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1893    1.0561    0.3379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4064   -1.2170   -0.2704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9553   -0.0241    0.0032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1507    1.1014    0.4109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4139    0.0911   -0.0766 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8149   -0.3146    0.4731 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3830   -2.0617   -1.0576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0200   -2.0697   -0.5501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6461    1.9905    0.7881 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9584   -0.5912   -1.7628 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8439   -3.0592    0.8910 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3533    2.8494    1.0179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7229    1.4802   -0.4440 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 17  1  0  0  0  0
  2  7  1  0  0  0  0
  2 18  1  0  0  0  0
  3  8  1  0  0  0  0
  3 19  1  0  0  0  0
  4 12  1  0  0  0  0
  4 20  1  0  0  0  0
  5 12  2  0  0  0  0
  6  7  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 11  2  0  0  0  0
  9 10  2  0  0  0  0
  9 15  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 16  1  0  0  0  0
M  END
$$$$

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2024-02-28, 1866👍, 0💬