Molecule Editor

Molecule ID: FYI-1017402 Edit

Molecule Structure InChIKey: XHCADAYNFIFUHF-GZENYHORSA-N

Molecule Structure SMILES String: O=c3ccc2cc(O[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)c(O)cc2o3

Download SDF Download SVG Structure in 2D SDF:

FYI-1017402
FYIcenter.com

 24 26  0  0  1  0  0  0  0  0999 V2000
    7.2747    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    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 O   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
    3.6373    0.0000    0.0000 O   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
    0.0000    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  1  1  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 13  1  1  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 19 14  1  0  0  0  0
 18 20  1  6  0  0  0
 21 20  1  0  0  0  0
 17 22  1  1  0  0  0
 16 23  1  1  0  0  0
 15 24  1  1  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1017402-3D
FYIcenter.com

 40 42  0     1  0  0  0  0  0999 V2000
   -1.9422    0.9909    0.8937 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9984   -0.8611   -0.2410 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5832   -1.3036   -1.2138 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0841    1.0492   -1.0285 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7298   -2.5863    1.1441 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7155    3.4877   -0.2113 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5413   -0.6075   -0.1334 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5271   -3.1658   -0.5486 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4586    0.6292    0.0674 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0291   -0.8385    0.0606 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.2064    0.6825    0.0287 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.9898   -1.1893    1.1270 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8526    1.3880   -0.1404 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6817   -0.4155    0.9274 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9968    2.9051   -0.0590 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3689   -0.7989   -0.2145 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9936    0.4382   -0.0306 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1323   -1.9584   -0.3693 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3876    0.5186   -0.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1323   -0.6476   -0.1572 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5233   -1.8872   -0.3413 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0881    1.7775    0.1871 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4229    1.8070    0.2086 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2334    0.5858    0.0454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9844   -1.3383    0.2555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6634    1.0016    0.9742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4027   -0.9157    2.1066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4031    1.1482   -1.1130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0498   -0.6105    1.8047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6537    3.2892   -0.8451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3864    3.2076    0.9188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4285   -2.2605   -1.1356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9244    0.5808   -0.8874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5791   -3.0410    1.2757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8293    4.4515   -0.1517 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4053    1.3454    0.0708 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1300   -2.7804   -0.4604 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5118    2.6879    0.3093 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2102   -3.8525   -0.6372 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9529    2.7429    0.3486 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2 14  1  0  0  0  0
  2 16  1  0  0  0  0
  3 10  1  0  0  0  0
  3 32  1  0  0  0  0
  4 11  1  0  0  0  0
  4 33  1  0  0  0  0
  5 12  1  0  0  0  0
  5 34  1  0  0  0  0
  6 15  1  0  0  0  0
  6 35  1  0  0  0  0
  7 20  1  0  0  0  0
  7 24  1  0  0  0  0
  8 18  1  0  0  0  0
  8 39  1  0  0  0  0
  9 24  2  0  0  0  0
 10 11  1  0  0  0  0
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 10 25  1  0  0  0  0
 11 13  1  0  0  0  0
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 12 27  1  0  0  0  0
 13 15  1  0  0  0  0
 13 28  1  0  0  0  0
 14 29  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 17 36  1  0  0  0  0
 18 21  1  0  0  0  0
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 19 22  1  0  0  0  0
 20 21  2  0  0  0  0
 21 37  1  0  0  0  0
 22 23  2  0  0  0  0
 22 38  1  0  0  0  0
 23 24  1  0  0  0  0
 23 40  1  0  0  0  0
M  END
$$$$