Molecule Editor

Molecule ID: FYI-1007382 Edit

Molecule Structure InChIKey: NCERTFMCWYPDOT-BUHFOSPRSA-N

Molecule Structure SMILES String: CCCC(C)Cc3cc2oc1cc(OC)c(OC)c(/C=C/C(C)(C)O)c1c(=O)c2c(O)c3C/C=C(C)\C

Download SDF Download SVG Structure in 2D SDF:

FYI-1007382
FYIcenter.com

 37 39  0  0  0  0  0  0  0  0999 V2000
   15.7616    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 O   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
    3.6373    4.9000    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
    2.4248    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8248    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0248    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    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  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  4  1  0  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  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  1  0  0  0  0
 15 14  1  0  0  0  0
 16 13  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 16  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 22  1  0  0  0  0
 25 22  1  0  0  0  0
 26 19  2  0  0  0  0
 26 11  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 29 27  1  0  0  0  0
 29  9  2  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 32 30  2  0  0  0  0
 32  7  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
 35 34  2  0  0  0  0
 36 35  1  0  0  0  0
 37 35  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007382-3D
FYIcenter.com

 77 79  0  0  1  0  0  0  0  0999 V2000
    5.3283   -0.8752    1.8699 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8303   -1.1258    0.4533 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9726    0.1349   -0.4027 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793   -0.0577   -1.8845 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.1039   -0.4294   -2.0496 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8971    1.2148   -2.7242 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3784    1.5474   -2.7078 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2366    0.5779   -3.2735 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6080    0.6294   -3.0703 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3374   -0.4414   -3.5135 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7039   -0.3974   -3.3700 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3915   -1.4621   -3.9387 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7913   -1.5235   -3.8781 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4439   -2.5745   -4.4690 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8256   -3.8529   -4.3156 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5170   -0.4477   -3.3114 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8845   -0.3323   -3.2696 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6995   -1.3697   -3.8000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8179    0.6473   -2.7251 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4758    1.8899   -2.2449 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5733    2.0635   -1.4926 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0184    3.4350   -1.0071 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8656    3.3557    0.2625 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7732    4.1814   -2.1091 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8681    4.2235   -0.6827 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4010    0.6197   -2.7284 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5747    1.6412   -2.0464 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9996    2.3970   -1.1797 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1495    1.6940   -2.3741 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3349    2.7320   -1.9088 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8738    3.8159   -1.2581 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9349    2.6644   -2.0333 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1089    3.7159   -1.3163 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9511    5.0250   -2.0422 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8074    5.6848   -2.3191 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4224    5.1642   -2.0634 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8463    7.0872   -2.8761 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1838   -1.7664    2.4880 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7841   -0.0462    2.3334 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3952   -0.6288    1.8729 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7846   -1.4435    0.5022 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4057   -1.9471    0.0100 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0217    0.4460   -0.3413 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3777    0.9465    0.0328 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1622   -0.9009   -2.2784 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4497    0.3629   -1.6728 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8607   -1.3558   -1.5205 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8669   -0.5960   -3.1058 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2861    2.0521   -2.3806 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6001    1.0509   -3.7687 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8166   -0.2802   -3.7992 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8128   -2.2244   -4.4482 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5449   -4.6127   -4.6384 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9448   -3.9532   -4.9568 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5726   -4.0494   -3.2675 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7425   -1.0939   -3.6237 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5677   -1.4597   -4.8823 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5269   -2.3165   -3.2789 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9325    2.7961   -2.5227 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1804    1.2081   -1.2033 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7980    2.8067    0.0982 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3143    2.8679    1.0761 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1174    4.3607    0.6253 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.6982    3.6694   -2.3890 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0196    5.2007   -1.7870 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1527    4.2915   -3.0057 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2817    3.6683   -0.1374 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8227    3.6261   -1.0778 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6080    3.9460   -0.3614 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1577    3.2955   -0.9852 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8963    5.5145   -2.2765 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4033    4.1602   -1.6380 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8594    5.1271   -3.0019 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8925    5.8219   -1.3666 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8445    7.5334   -2.8086 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    7.7371   -2.3059 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5321    7.0975   -3.9236 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 38  1  0  0  0  0
  1 39  1  0  0  0  0
  1 40  1  0  0  0  0
  2  3  1  0  0  0  0
  2 41  1  0  0  0  0
  2 42  1  0  0  0  0
  3  4  1  0  0  0  0
  3 43  1  0  0  0  0
  3 44  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 45  1  0  0  0  0
  5 46  1  0  0  0  0
  5 47  1  0  0  0  0
  5 48  1  0  0  0  0
  6  7  1  0  0  0  0
  6 49  1  0  0  0  0
  6 50  1  0  0  0  0
  7  8  1  0  0  0  0
  7 32  2  0  0  0  0
  8  9  2  0  0  0  0
  8 51  1  0  0  0  0
  9 10  1  0  0  0  0
  9 29  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 26  2  0  0  0  0
 12 13  2  0  0  0  0
 12 52  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  1  0  0  0  0
 15 53  1  0  0  0  0
 15 54  1  0  0  0  0
 15 55  1  0  0  0  0
 16 17  1  0  0  0  0
 16 19  2  0  0  0  0
 17 18  1  0  0  0  0
 18 56  1  0  0  0  0
 18 57  1  0  0  0  0
 18 58  1  0  0  0  0
 19 20  1  0  0  0  0
 19 26  1  0  0  0  0
 20 21  2  0  0  0  0
 20 59  1  0  0  0  0
 21 22  1  0  0  0  0
 21 60  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 61  1  0  0  0  0
 23 62  1  0  0  0  0
 23 63  1  0  0  0  0
 24 64  1  0  0  0  0
 24 65  1  0  0  0  0
 24 66  1  0  0  0  0
 25 67  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 68  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 69  1  0  0  0  0
 33 70  1  0  0  0  0
 34 35  2  0  0  0  0
 34 71  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 36 72  1  0  0  0  0
 36 73  1  0  0  0  0
 36 74  1  0  0  0  0
 37 75  1  0  0  0  0
 37 76  1  0  0  0  0
 37 77  1  0  0  0  0
M  END
$$$$