Molecule FYI-1001179

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Molecule Summary:

ID: FYI-1001179
SMILES: Oc1cc(O)c(C(=O)CCc2ccc(O)c(O)c2)c(O)c1

Received at FYIcenter.com on: 2022-02-21

Molecule ID: FYI-1001179 Edit

Molecule Structure SMILES String: Oc1cc(O)c(C(=O)CCc2ccc(O)c(O)c2)c(O)c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1001179
FYIcenter.com

 21 22  0  0  0  0  0  0  0  0999 V2000
   12.1244    1.4000    0.0000 O   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    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    3.5000    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
    3.6373    3.5000    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
    1.2124    3.5000    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
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   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
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    1.4000    0.0000 C   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  1  0  0  0  0
  6  4  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  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
 15 14  1  0  0  0  0
 16 14  1  0  0  0  0
 17 16  1  0  0  0  0
 18 16  2  0  0  0  0
 18 11  1  0  0  0  0
 19  6  1  0  0  0  0
 20 19  1  0  0  0  0
 21 19  2  0  0  0  0
 21  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001179-3D
FYIcenter.com

 35 36  0  0  0  0  0  0  0  0999 V2000
   -2.7709    0.1803   -0.1072 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4097    0.1176   -0.0612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6600    1.1128    0.5534 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7374    1.0094    0.5754 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4393    1.9926    1.2135 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3939   -0.0837   -0.0148 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8850   -0.2421   -0.0389 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3411   -1.3790   -0.1873 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7781    0.9846    0.0065 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2670    0.6411   -0.0544 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1054    1.9001   -0.0810 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4595    2.4880   -1.3076 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2017    3.6727   -1.3479 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5846    4.2729   -0.1557 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3100    5.4322   -0.1296 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2300    3.7015    1.0640 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6051    4.3064    2.2304 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4948    2.5247    1.1134 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6018   -1.0806   -0.6145 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1260   -2.2010   -1.2093 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7902   -0.9780   -0.6458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0776    0.9844    0.3456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1568    1.9597    1.0149 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8335    2.6427    1.6063 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6144    1.5268    0.9390 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5062    1.6244   -0.8417 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4940    0.0281   -0.9355 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5503    0.0316    0.8139 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1525    2.0223   -2.2420 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4623    4.1039   -2.3088 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4984    5.6889   -1.0486 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1085    5.0939    1.9416 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2264    2.1042    2.0786 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0817   -2.2463   -0.9793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3845   -1.7539   -1.1188 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 22  1  0  0  0  0
  2  3  1  0  0  0  0
  2 21  2  0  0  0  0
  3  4  2  0  0  0  0
  3 23  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5 24  1  0  0  0  0
  6  7  1  0  0  0  0
  6 19  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 11  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 12  1  0  0  0  0
 11 18  2  0  0  0  0
 12 13  2  0  0  0  0
 12 29  1  0  0  0  0
 13 14  1  0  0  0  0
 13 30  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 31  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 32  1  0  0  0  0
 18 33  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 34  1  0  0  0  0
 21 35  1  0  0  0  0
M  END
$$$$

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2022-04-21, 3493👍, 0💬