Molecule Editor

Molecule ID: FYI-1015826 Edit

Molecule Structure InChIKey: QVNRLWYFJPKVBE-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc5ccc(O)c(C4CC3C2CC(c1cc(C)ccc1O)C(C2)C3C4)c5

Download SDF Download SVG Structure in 2D SDF:

FYI-1015826
FYIcenter.com

 26 30  0  0  0  0  0  0  0  0999 V2000
    1.2125    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    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
    1.2127    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2127    5.6000    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
    4.8498    3.5000    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    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    3.7674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2166    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    6.0327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6430    4.9154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5875    5.1840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5188    4.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8897    4.4226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3293    5.7518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3979    6.7971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0270    6.5132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0957    7.5585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8211    3.3774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 12 17  1  0  0  0  0
 11 15  1  0  0  0  0
 13 18  1  0  0  0  0
 18 10  1  0  0  0  0
 16 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 24 25  1  0  0  0  0
 21 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015826-3D
FYIcenter.com

 54 58  0  0  1  0  0  0  0  0999 V2000
   -2.1219   -2.1567   -1.0574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1130   -1.0912   -0.7519 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2370   -1.4043   -0.5801 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1637   -0.4005   -0.3154 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7373    0.9265   -0.2304 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6664    1.8998    0.0321 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6087    1.2803   -0.4007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0828    2.7217   -0.2901 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.8977    3.2335   -1.4953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3698    3.3673   -1.0749 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.9290    4.8285   -1.2065 C   0  0  3  0  0  0  0  0  0  0  0  0
   -5.4353    4.9837   -0.9337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6147    4.3084    0.4528 C   0  0  3  0  0  0  0  0  0  0  0  0
   -6.3883    2.9843    0.3960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8799    2.5001   -0.8325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8481    1.4956   -0.9284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4839    1.2361   -2.2646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2067    0.8089    0.2197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6393    1.1657    1.4477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7587    2.2623    1.5407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2769    2.6311    2.7590 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1271    4.3318    0.9639 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.4584    5.4427    0.1039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4009    3.0863    0.4436 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.9588    2.9580    0.9431 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5256    0.2468   -0.6524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6635   -3.1506   -1.0833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5735   -1.9686   -2.0368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9060   -2.1670   -0.2939 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5794   -2.4343   -0.6491 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2073   -0.6642   -0.1770 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5410    1.4887    0.1172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000    3.3666   -0.2030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8021    2.5800   -2.3701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5075    4.2101   -1.8058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9886    2.6488   -1.6241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6280    5.3358   -2.1256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0703    4.6745   -1.7585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6819    6.0517   -0.8255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2102    4.9884    1.0785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5508    2.9132   -1.7758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2436    2.0392   -2.9740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5733    1.2304   -2.1647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1389    0.2924   -2.6910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9380    0.0047    0.1701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9274    0.6048    2.3325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5555    1.9745    3.4189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0276    4.5022    2.0385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3686    5.5016    0.1627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8601    6.4467    0.2808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9338    2.1623    0.6833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8818    2.1497    1.6812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6305    3.8623    1.4696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5808    0.4786   -0.7718 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
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  2  3  1  0  0  0  0
  2 26  2  0  0  0  0
  3  4  2  0  0  0  0
  3 30  1  0  0  0  0
  4  5  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6 32  1  0  0  0  0
  7  8  1  0  0  0  0
  7 26  1  0  0  0  0
  8  9  1  0  0  0  0
  8 25  1  0  0  0  0
  8 33  1  0  0  0  0
  9 10  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
 10 11  1  0  0  0  0
 10 24  1  0  0  0  0
 10 36  1  0  0  0  0
 11 12  1  0  0  0  0
 11 23  1  0  0  0  0
 11 37  1  0  0  0  0
 12 13  1  0  0  0  0
 12 38  1  0  0  0  0
 12 39  1  0  0  0  0
 13 14  1  0  0  0  0
 13 22  1  0  0  0  0
 13 40  1  0  0  0  0
 14 15  1  0  0  0  0
 14 20  2  0  0  0  0
 15 16  2  0  0  0  0
 15 41  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 42  1  0  0  0  0
 17 43  1  0  0  0  0
 17 44  1  0  0  0  0
 18 19  2  0  0  0  0
 18 45  1  0  0  0  0
 19 20  1  0  0  0  0
 19 46  1  0  0  0  0
 20 21  1  0  0  0  0
 21 47  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 48  1  0  0  0  0
 23 49  1  0  0  0  0
 23 50  1  0  0  0  0
 24 25  1  0  0  0  0
 24 51  1  0  0  0  0
 25 52  1  0  0  0  0
 25 53  1  0  0  0  0
 26 54  1  0  0  0  0
M  END
$$$$