Molecule FYI-1001019

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Molecule Summary:

ID: FYI-1001019
SMILES: O[C@@H]1[C@@H](O)[C@@H](OC2=C(O)C=CC(=C2)C(O)=O)OC([C@H]1O)C(O)=O

Received at FYIcenter.com on: 2021-10-22

Molecule ID: FYI-1001019 Edit

Molecule Structure SMILES String: O[C@@H]1[C@@H](O)[C@@H](OC2=C(O)C=CC(=C2)C(O)=O)OC([C@H]1O)C(O)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1001019
FYIcenter.com

 23 24  0  0  1  0  0  0  0  0999 V2000
    8.4871    4.9000    0.0000 O   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
    6.0623    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 O   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
    1.2125    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    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
    1.2125    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
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.8000    0.0000 O   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
    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 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    0.0000    0.0000 O   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
  2  1  1  1  0  0  0
  3  2  1  0  0  0  0
  3  4  1  6  0  0  0
  5  3  1  0  0  0  0
  5  6  1  6  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  8  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
 13  7  1  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16 14  2  0  0  0  0
 17  5  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 19  2  1  0  0  0  0
 19 20  1  6  0  0  0
 21 18  1  0  0  0  0
 22 21  1  0  0  0  0
 23 21  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001019-3D
FYIcenter.com

 37 38  0  0  1  0  0  0  0  0999 V2000
    0.0639   -1.8205    1.3212 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0178   -0.7280    0.3808 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3221    0.0109    0.3725 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3342   -0.8436   -0.1801 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2496    1.3798   -0.3394 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0699    1.2285   -1.7540 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6710    2.0978   -2.6382 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4190    1.8317   -3.9956 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4568    0.9237   -4.3514 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0158    2.5493   -5.0319 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7786    3.6668   -4.7203 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9607    4.0276   -3.3804 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4503    3.2186   -2.3349 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5483    5.3706   -3.1371 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3380    5.4365   -2.0369 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3327    6.3241   -3.8622 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2549    2.1934    0.2753 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0653    1.6464    0.3396 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.1747    0.1832    0.8133 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4514   -0.3914    0.4934 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8800    1.9465   -0.9146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8541    2.8467   -0.6853 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6925    1.4831   -2.0379 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8900   -2.3068    1.1335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2186   -1.2040   -0.5814 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6113    0.1853    1.4174 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3502   -0.6997   -1.1462 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2206    1.8473   -0.1459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2572    1.0436   -3.6884 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8162    2.2976   -6.0708 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1684    4.2971   -5.5210 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5996    3.5351   -1.3094 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5731    4.5763   -1.6599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5614    2.2296    1.1275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1597    0.2088    1.9110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4090   -0.8049   -0.3881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2851    3.0270   -1.5476 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 24  1  0  0  0  0
  2  3  1  0  0  0  0
  2 19  1  0  0  0  0
  2 25  1  6  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 26  1  1  0  0  0
  4 27  1  0  0  0  0
  5  6  1  0  0  0  0
  5 17  1  0  0  0  0
  5 28  1  1  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 29  1  0  0  0  0
 10 11  2  0  0  0  0
 10 30  1  0  0  0  0
 11 12  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 32  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 33  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 18 34  1  0  0  0  0
 19 20  1  0  0  0  0
 19 35  1  1  0  0  0
 20 36  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 37  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-03-29, 2348👍, 0💬