Molecule FYI-1016452

A

Molecule Summary:

ID: FYI-1016452
Names:
InChIKey: GTUNNRJLSDOYAE-BZDCKHMYSA-N
SMILES: C[C@](/C=C/c1ccc(O)cc1)(CCC(=O)O)[C@H](O)CO

Received at FYIcenter.com on: 2026-01-08

Molecule ID: FYI-1016452 Edit

Molecule Structure InChIKey: GTUNNRJLSDOYAE-BZDCKHMYSA-N

Molecule Structure SMILES String: C[C@](/C=C/c1ccc(O)cc1)(CCC(=O)O)[C@H](O)CO

Download SDF Download SVG Structure in 2D SDF:

FYI-1016452
FYIcenter.com

 20 20  0  0  1  0  0  0  0  0999 V2000
    8.4871    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    0.0000    0.0000 O   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
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.7000    0.0000 C   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  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 12  1  0  0  0  0
 15 14  2  0  0  0  0
 15  9  1  0  0  0  0
 16  6  1  0  0  0  0
 16 17  1  6  0  0  0
 18 16  1  0  0  0  0
 19 18  1  0  0  0  0
  6 20  1  6  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016452-3D
FYIcenter.com

 40 40  0  0  1  0  0  0  0  0999 V2000
    1.6159    2.2864    0.7676 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3117    2.4778   -0.6021 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2837    3.6546   -0.3847 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0230    4.9592   -0.5910 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9212    6.0753   -0.2344 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3165    5.9566   -0.2350 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1268    7.0523    0.0880 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5407    8.2736    0.3984 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2970    9.3664    0.7053 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1629    8.4172    0.3996 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3566    7.3236    0.0820 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2295    2.8027   -1.6872 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2388    1.6708   -2.0047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7530    2.0720   -3.0716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7916    3.1518   -3.6326 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6288    1.0739   -3.3583 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0734    1.1531   -0.9742 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0059    0.7478    0.0463 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8167    1.1726   -2.3206 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2843   -0.1449   -2.6229 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000    3.2034    1.0799 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3337    2.0355    1.5572 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8721    1.4848    0.7415 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2264    3.3980    0.0925 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0576    5.2742   -0.9804 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7939    5.0176   -0.4922 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2058    6.9306    0.0825 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2337    9.1302    0.6208 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7148    9.3753    0.6445 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2738    7.4547    0.0857 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7260    3.1092   -2.6181 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6379    3.6719   -1.3717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3325    1.4079   -1.1095 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7643    0.7867   -2.3756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4802    0.2561   -2.8435 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3543    0.3261   -0.9956 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7675    1.3518    0.0236 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6946    1.8241   -2.2843 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1745    1.4826   -3.1473 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6525   -0.5083   -1.7949 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2 12  1  0  0  0  0
  2  3  1  1  0  0  0
  2  1  1  0  0  0  0
  3  4  2  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  4 25  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  2  0  0  0  0
  6  7  2  0  0  0  0
  6 26  1  0  0  0  0
  7  8  1  0  0  0  0
  7 27  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 28  1  0  0  0  0
 10 11  1  0  0  0  0
 10 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 13  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 14  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 35  1  0  0  0  0
 17 19  1  0  0  0  0
 17 18  1  0  0  0  0
 17  2  1  0  0  0  0
 17 36  1  6  0  0  0
 18 37  1  0  0  0  0
 19 20  1  0  0  0  0
 19 38  1  0  0  0  0
 19 39  1  0  0  0  0
 20 40  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2026-02-02, 160👍, 0💬