Molecule FYI-1016728

A

Molecule Summary:

ID: FYI-1016728
Names:
InChIKey: XGPBRZDOJDLKOT-HWCZVSPCSA-N
SMILES: C/C=C(C)/C(=O)O[C@H]3[C@@H](OC(C)=O)c1c(ccc2ccc(=O)oc12)OC3(C)C

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

Molecule ID: FYI-1016728 Edit

Molecule Structure InChIKey: XGPBRZDOJDLKOT-HWCZVSPCSA-N

Molecule Structure SMILES String: C/C=C(C)/C(=O)O[C@H]3[C@@H](OC(C)=O)c1c(ccc2ccc(=O)oc12)OC3(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1016728
FYIcenter.com

 28 30  0  0  1  0  0  0  0  0999 V2000
   12.1244    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.7124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.8124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.5124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.7124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.7124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  6  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 15 10  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 17  1  0  0  0  0
 20 19  2  0  0  0  0
 20 14  1  0  0  0  0
 21 11  1  0  0  0  0
 22 21  1  0  0  0  0
 22  8  1  0  0  0  0
 23 22  1  0  0  0  0
 24 22  1  0  0  0  0
  9 25  1  6  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016728-3D
FYIcenter.com

 50 52  0     1  0  0  0  0  0999 V2000
   -0.3113   -2.7277   -0.3549 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8874   -0.3271    0.1236 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0027    1.4243   -0.5986 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6720    1.1136   -0.0787 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5216    0.8641   -0.9771 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3201    2.1496   -2.7680 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1427    2.8651    0.0480 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1058   -2.0875   -1.3724 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2213   -0.5712   -1.1215 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1611    0.0842   -1.0606 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1044   -0.7310   -0.2096 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8087   -2.0697    0.0828 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4867   -2.7608   -1.2975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4972   -2.4071   -2.7490 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3220   -0.2144    0.2650 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6728   -2.8328    0.8776 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1967   -0.9686    1.0483 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8604   -2.2845    1.3620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0301    0.4073    0.0452 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4351   -0.3658    1.5139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2342    2.3595   -1.5657 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8514    1.7130    0.3486 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7412    0.8913    1.1863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6021    0.5817    1.4150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3779    3.7126   -0.9376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6635    0.5718    2.5849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9407    0.7043    1.4812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7716    0.9060    2.7085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7718   -0.1227   -1.9575 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6116    0.0851   -2.0624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4081   -3.8367   -1.4932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1847   -2.3279   -2.0215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9205   -2.6702   -0.2953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4663   -3.4905   -2.9150 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5397   -2.0673   -2.8342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0781   -1.9517   -3.5578 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4294   -3.8657    1.1150 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5177   -2.8992    1.9720 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1059   -0.9538    2.1308 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6642    1.3443    1.5311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2212    3.7095   -0.2424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5705    4.4558   -1.7165 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5470    3.9803   -0.4206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1004    1.0045    3.4879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7702    1.1654    2.3600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3488   -0.4516    2.8132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5232    0.6786    0.5614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5629    0.1500    2.7404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2455    1.8919    2.6768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2080    0.8265    3.6399 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 12  1  0  0  0  0
  2  9  1  0  0  0  0
  2 19  1  0  0  0  0
  3 10  1  0  0  0  0
  3 21  1  0  0  0  0
  4 15  1  0  0  0  0
  4 22  1  0  0  0  0
  5 19  2  0  0  0  0
  6 21  2  0  0  0  0
  7 22  2  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
  9 29  1  0  0  0  0
 10 11  1  0  0  0  0
 10 30  1  0  0  0  0
 11 12  2  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 37  1  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 38  1  0  0  0  0
 19 24  1  0  0  0  0
 20 23  2  0  0  0  0
 20 39  1  0  0  0  0
 21 25  1  0  0  0  0
 22 23  1  0  0  0  0
 23 40  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  2  0  0  0  0
 25 41  1  0  0  0  0
 25 42  1  0  0  0  0
 25 43  1  0  0  0  0
 26 44  1  0  0  0  0
 26 45  1  0  0  0  0
 26 46  1  0  0  0  0
 27 28  1  0  0  0  0
 27 47  1  0  0  0  0
 28 48  1  0  0  0  0
 28 49  1  0  0  0  0
 28 50  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2026-03-22, 507👍, 0💬