Molecule FYI-1010183

A

Molecule Summary:

ID: FYI-1010183
Names:
InChIKey: YWHDXHMZXNDRAG-UHFFFAOYSA-N
SMILES: COC3(C)c1ccc(C)c(O)c1C(=O)c2c(C)c(C(=O)O)c(O)cc23

Received at FYIcenter.com on: 2024-05-31

Molecule ID: FYI-1010183 Edit

Molecule Structure InChIKey: YWHDXHMZXNDRAG-UHFFFAOYSA-N

Molecule Structure SMILES String: COC3(C)c1ccc(C)c(O)c1C(=O)c2c(C)c(C(=O)O)c(O)cc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1010183
FYIcenter.com

 25 27  0  0  0  0  0  0  0  0999 V2000
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    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    4.2000    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
    6.0622    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
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    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
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 O   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  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  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 13  2  0  0  0  0
 14  9  1  0  0  0  0
 15 14  1  0  0  0  0
 15  4  1  0  0  0  0
 16 15  2  0  0  0  0
 17 13  1  0  0  0  0
 18 12  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 21 11  1  0  0  0  0
 22  8  1  0  0  0  0
 23  8  1  0  0  0  0
 24 23  1  0  0  0  0
 25  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010183-3D
FYIcenter.com

 43 45  0     1  0  0  0  0  0999 V2000
   -0.7707   -2.7645    0.6415 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5260    2.3983   -0.4159 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0012    2.6568    0.0536 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1617   -1.8308    0.1004 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2042    0.6710   -0.8479 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6831    1.7241    1.0978 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7280   -1.7532   -0.3747 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5902   -1.0155   -0.2005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9604   -0.8849   -0.1767 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6584    0.3827   -0.1651 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8849    0.5129   -0.1417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7746   -2.4007   -1.7730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5761    1.1880   -0.2378 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8916    1.0402   -0.0454 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7960   -1.7377   -0.1078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2317   -1.4804   -0.0612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0421    1.2928   -0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0709    0.3039    0.0449 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0237   -1.0852    0.0155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2885    0.6806    0.1120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3838   -0.7061    0.0837 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0169    2.5335    0.0198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7577   -2.1868    1.9348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5343    1.4897    0.2676 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3630    0.9712    0.1766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7436   -1.6482   -2.5695 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0630   -3.0916   -1.9235 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7724   -2.8255   -0.1389 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.3460   -1.2038    0.1695 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4882    2.9231    0.8966 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0286    2.9347    0.0776 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6242    2.9842   -0.8985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7255   -3.0202    2.6457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6666   -1.6298    2.1778 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1263   -1.5804    2.1500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4929    2.0784    1.1901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6594    2.1651   -0.5852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4286    0.8593    0.3194 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9291   -2.7743    0.0624 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0702    1.1222   -0.7538 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 23  1  0  0  0  0
  2 13  2  0  0  0  0
  3 17  1  0  0  0  0
  3 41  1  0  0  0  0
  4 19  1  0  0  0  0
  4 42  1  0  0  0  0
  5 25  1  0  0  0  0
  5 43  1  0  0  0  0
  6 25  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  8 10  1  0  0  0  0
  8 15  2  0  0  0  0
  9 11  2  0  0  0  0
  9 16  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 13  1  0  0  0  0
 11 17  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 14 18  1  0  0  0  0
 14 22  1  0  0  0  0
 15 19  1  0  0  0  0
 15 29  1  0  0  0  0
 16 21  2  0  0  0  0
 16 30  1  0  0  0  0
 17 20  2  0  0  0  0
 18 19  2  0  0  0  0
 18 25  1  0  0  0  0
 20 21  1  0  0  0  0
 20 24  1  0  0  0  0
 21 31  1  0  0  0  0
 22 32  1  0  0  0  0
 22 33  1  0  0  0  0
 22 34  1  0  0  0  0
 23 35  1  0  0  0  0
 23 36  1  0  0  0  0
 23 37  1  0  0  0  0
 24 38  1  0  0  0  0
 24 39  1  0  0  0  0
 24 40  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-06-03, 1276👍, 0💬