Molecule FYI-1000981

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Molecule Summary:

ID: FYI-1000981
SMILES: OC(=O)C(CC1=CC=C(O)C(=C1)O)OC(=O)\\C=C\\C2=CC=C(O)C(=C2)O

Received at FYIcenter.com on: 2021-08-20

Molecule ID: FYI-1000981 Edit

Molecule Structure SMILES String: OC(=O)C(CC1=CC=C(O)C(=C1)O)OC(=O)C=CC2=CC=C(O)C(=C2)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1000981
FYIcenter.com

 26 27  0  0  0  0  0  0  0  0999 V2000
    7.2747    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.0000    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
    3.6373    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 O   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
    2.4249    4.2000    0.0000 O   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    2.8000    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
    6.0623    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 O   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
    7.2747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    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  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  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  9  1  0  0  0  0
 12 11  2  0  0  0  0
 12  6  1  0  0  0  0
 13 11  1  0  0  0  0
 14  4  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 22  1  0  0  0  0
 25 24  2  0  0  0  0
 25 19  1  0  0  0  0
 26 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000981-3D
FYIcenter.com

 42 43  0  0  1  0  0  0  0  0999 V2000
    3.4704    0.4217    1.0732 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6834   -0.0722    0.0876 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5384    0.3227   -0.0780 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3344   -1.2092   -0.7031 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.7957   -1.3188   -2.1389 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1202   -0.1377   -3.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2197    0.9365   -3.1301 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4988    2.0372   -3.9441 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6839    2.0629   -4.6650 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0049    3.1062   -5.4883 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5875    1.0089   -4.5678 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3176   -0.0900   -3.7609 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7572    1.0464   -5.2731 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7605   -1.1087   -0.8083 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4546   -2.0269   -0.1037 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1897   -2.3843    1.0277 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5060   -2.5520   -0.9928 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3212   -3.5395   -0.5987 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3343   -4.1584   -1.4705 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9441   -3.4675   -2.5343 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9297   -4.0763   -3.3215 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3142   -5.3779   -3.0358 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2786   -6.0228   -3.7588 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7192   -6.0687   -1.9845 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7391   -5.4720   -1.2009 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1079   -7.3482   -1.7064 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3280   -0.0505    1.1441 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0515   -2.1307   -0.1754 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7109   -1.4796   -2.1306 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2292   -2.2142   -2.6065 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2884    0.9239   -2.5653 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7828    2.8510   -3.9938 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2619    3.7347   -5.4744 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0408   -0.8975   -3.7125 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7179    1.8990   -5.7561 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5287   -2.1448   -1.9963 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2358   -3.9507    0.4061 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6723   -2.4402   -2.7634 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3826   -3.5160   -4.1330 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6030   -5.4128   -4.4434 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2969   -6.0430   -0.3881 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8031   -7.5424   -2.3663 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 27  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 14  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5 29  1  0  0  0  0
  5 30  1  0  0  0  0
  6  7  2  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7 31  1  0  0  0  0
  8  9  2  0  0  0  0
  8 32  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 33  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  3  0  0  0
 17 36  1  0  0  0  0
 18 19  1  0  0  0  0
 18 37  1  0  0  0  0
 19 20  2  0  0  0  0
 19 25  1  0  0  0  0
 20 21  1  0  0  0  0
 20 38  1  0  0  0  0
 21 22  2  0  0  0  0
 21 39  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 40  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 41  1  0  0  0  0
 26 42  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-04-02, 1834👍, 0💬