Molecule FYI-1017404

A

Molecule Summary:

ID: FYI-1017404
Names:
InChIKey: DOUMFZQKYFQNTF-GIZXNFQBSA-M
SMILES: O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H](Cc2ccc(O)c(O)c2)C(=O)[O-]

Received at FYIcenter.com on: 2026-07-03

Molecule ID: FYI-1017404 Edit

Molecule Structure InChIKey: DOUMFZQKYFQNTF-GIZXNFQBSA-M

Molecule Structure SMILES String: O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H](Cc2ccc(O)c(O)c2)C(=O)[O-]

Download SDF Download SVG Structure in 2D SDF:

FYI-1017404
FYIcenter.com

 26 27  0  0  1  0  0  0  0  0999 V2000
   13.3368    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.4870    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    6.3000    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  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
  8 12  1  6  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 22 17  1  0  0  0  0
 23 21  1  0  0  0  0
 24 20  1  0  0  0  0
 25  4  1  0  0  0  0
 26  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1017404-3D
FYIcenter.com

 41 42  0     1  0  0  0  0  0999 V2000
    1.0354    1.3780   -0.4999 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7451   -3.5862   -0.8481 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7649   -3.8424    1.0450 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9847    3.7912   -1.5711 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.2865    4.1896    0.6569 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2383    1.7649    1.6337 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9954   -0.0158    1.2966 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0824   -1.6436   -0.9543 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3920    1.2673   -0.9737 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3009    1.9432   -0.1421 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7562   -0.0974   -0.4376 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0786   -1.2288   -0.8921 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7698   -0.2262    0.5120 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4147   -2.4889   -0.3976 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1058   -1.4864    1.0069 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1816    3.4584   -0.3661 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4284   -2.6177    0.5521 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1035    1.3569    0.4911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4827    0.0130    0.2855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1243    0.7413   -0.0619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2197    0.5920    0.7157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6505    0.2764    1.0014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5262   -0.8050   -0.8435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8620   -0.2780    0.5882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9056   -1.0960   -0.5408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7376   -1.3596   -1.2565 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2935    1.8933   -0.9938 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0719    1.1649   -2.0191 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5156    1.7680    0.9214 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2876   -1.1271   -1.6314 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3033    0.6481    0.8754 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8968   -1.5721    1.7471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0980    0.4451   -1.1046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1895    0.9332    1.7484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6219    0.9146    1.8822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6400   -1.0539   -1.4199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7570   -1.9988   -2.1353 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0791   -3.3062   -1.4992 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4847   -3.7372    1.6907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7752    0.5661    2.0441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9204   -2.1789   -1.7501 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 18  1  0  0  0  0
  2 14  1  0  0  0  0
  2 38  1  0  0  0  0
  3 17  1  0  0  0  0
  3 39  1  0  0  0  0
  4 16  1  0  0  0  0
  5 16  2  0  0  0  0
  6 18  2  0  0  0  0
  7 24  1  0  0  0  0
  7 40  1  0  0  0  0
  8 25  1  0  0  0  0
  8 41  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 16  1  0  0  0  0
 10 29  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 30  1  0  0  0  0
 13 15  2  0  0  0  0
 13 31  1  0  0  0  0
 14 17  2  0  0  0  0
 15 17  1  0  0  0  0
 15 32  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  2  0  0  0  0
 19 23  1  0  0  0  0
 20 21  2  0  0  0  0
 20 33  1  0  0  0  0
 21 34  1  0  0  0  0
 22 24  1  0  0  0  0
 22 35  1  0  0  0  0
 23 26  2  0  0  0  0
 23 36  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 37  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2026-07-13, 389👍, 0💬