Molecule FYI-1013652

A

Molecule Summary:

ID: FYI-1013652
Names:
InChIKey: UCSLQYARVUZGFU-FNRKJNMJSA-N
SMILES: C=C[C@@](C)(/C=C/c1ccc(O)cc1)CC[C@H](O)C(C)C

Received at FYIcenter.com on: 2025-01-20

Molecule ID: FYI-1013652 Edit

Molecule Structure InChIKey: UCSLQYARVUZGFU-FNRKJNMJSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1013652
FYIcenter.com

 20 20  0  0  1  0  0  0  0  0999 V2000
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    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
    6.0623    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    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    2.8000    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
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    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
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  1  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  1  0  0  0  0
 11  3  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  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
 18 13  1  0  0  0  0
 19 16  1  0  0  0  0
  3 20  1  1  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013652-3D
FYIcenter.com

 46 46  0  0  1  0  0  0  0  0999 V2000
    4.8843   -3.9070    1.5224 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0573   -3.5326    0.2468 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3135   -2.9511   -0.4000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.4874   -2.8516    0.6053 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6836   -3.8366   -1.5988 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8255   -4.5134   -1.7952 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1486   -5.2849   -3.0059 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6799   -4.9163   -4.2754 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0836   -5.6147   -5.4171 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9690   -6.6782   -5.2890 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4083   -7.3692   -6.3787 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4461   -7.0603   -4.0423 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0402   -6.3617   -2.9031 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0185   -1.4899   -0.8924 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8831   -1.3567   -1.9246 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6254    0.0809   -2.3968 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3244    0.8974   -1.2642 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4540    0.1631   -3.4083 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2437    1.6034   -3.8871 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6478   -0.7504   -4.6223 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9282   -4.3063    1.8522 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6671   -3.8378    2.2670 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996   -3.6629   -0.4134 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7394   -3.8294    1.0346 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2482   -2.1782    1.4376 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3938   -2.4567    0.1295 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9092   -3.9190   -2.3611 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0143   -4.0657   -4.3955 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7091   -5.3044   -6.3866 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0368   -6.9565   -7.1750 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1420   -7.8899   -3.9566 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4332   -6.6638   -1.9346 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9326   -1.0661   -1.3324 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7804   -0.8652   -0.0209 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9536   -1.7436   -1.4934 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1331   -1.9663   -2.7949 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5375    0.4847   -2.8513 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5168    0.5478   -0.8497 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5309   -0.1406   -2.8966 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1339    1.9818   -4.4008 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0208    2.2734   -3.0507 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4018    1.6589   -4.5857 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5835   -0.5228   -5.1435 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8237   -0.6315   -5.3347 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6608   -1.8056   -4.3363 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2 23  1  0  0  0  0
  3  2  1  1  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 14  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  2  0  0  0  0
  5 27  1  0  0  0  0
  6  7  1  0  0  0  0
  6 28  1  0  0  0  0
  7  8  1  0  0  0  0
  7 13  2  0  0  0  0
  8  9  2  0  0  0  0
  8 29  1  0  0  0  0
  9 10  1  0  0  0  0
  9 30  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 31  1  0  0  0  0
 12 13  1  0  0  0  0
 12 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 15  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 18  1  0  0  0  0
 16 17  1  0  0  0  0
 16 15  1  0  0  0  0
 16 38  1  6  0  0  0
 17 39  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 40  1  0  0  0  0
 19 41  1  0  0  0  0
 19 42  1  0  0  0  0
 19 43  1  0  0  0  0
 20 44  1  0  0  0  0
 20 45  1  0  0  0  0
 20 46  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-02-16, 1147👍, 0💬