Molecule FYI-1001022

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A

Molecule Summary:

ID: FYI-1001022
SMILES: CC([H])(C(O)c1ccc(c(c1)C([H])([H])([H])O)O)O

Received at FYIcenter.com on: 2021-10-25

Molecule ID: FYI-1001022 Edit

Molecule Structure SMILES String: CC([H])(C(O)c1ccc(c(c1)C([H])([H])([H])O)O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1001022
FYIcenter.com

 14 14  0  0  0  0  0  0  0  0999 V2000
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  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  4  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11  6  1  0  0  0  0
 12 10  1  0  0  0  0
 13  9  1  0  0  0  0
 14 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001022-3D
FYIcenter.com

 29 29  0  0  1  0  0  0  0  0999 V2000
    4.9007    1.2429   -1.4803 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3904   -0.1412   -1.9156 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0993   -0.9262   -1.5566 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9854   -0.4237   -1.3253 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.0366    0.5291   -1.7547 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5073   -1.8345   -1.6248 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3367   -2.0552   -2.3529 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8854   -3.3493   -2.5970 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6051   -4.4674   -2.1384 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8270   -4.2650   -1.3928 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2268   -2.9346   -1.1601 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8333   -5.3207   -0.8384 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5569   -6.0956   -0.5135 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1963   -6.1461   -1.2280 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6565   -4.8641   -1.4164 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6864   -4.9210    0.5079 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1178   -5.6971   -2.4179 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3122   -0.1905   -3.3150 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0051    1.3040   -0.3777 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1976    2.0325   -1.8229 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8998    1.4411   -1.9214 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0711   -0.3077   -0.2259 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1427    0.6626   -2.7333 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7602   -1.2174   -2.7221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0343   -3.4853   -3.1525 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1372   -2.7711   -0.5976 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0183   -5.5238    0.9291 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2937   -5.8338   -2.9158 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2387   -0.1166   -3.6607 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 18  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  2  0  0  0  0
  7  8  2  0  0  0  0
  7 24  1  0  0  0  0
  8  9  1  0  0  0  0
  8 25  1  0  0  0  0
  9 10  2  0  0  0  0
  9 17  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 26  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
 16 27  1  0  0  0  0
 17 28  1  0  0  0  0
 18 29  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-03-29, 1712👍, 0💬