Molecule Editor

Molecule ID: FYI-1003183 Edit

Molecule Structure InChIKey: DMOWMLJBAQLHFV-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(C1CC2CCC(C1)O2)S36(=O)COC5C(C3)C4=C(OCO4)C5C6

Download SDF Download SVG Structure in 2D SDF:

FYI-1003183
FYIcenter.com

 24 29  0  0  0  0  0  0  0  0999 V2000
    3.6943    0.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7427    0.9511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5501    2.0871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8062    3.0605    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6046    3.0087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0487    1.9423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8842    1.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7655    2.0831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6456    0.1410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8101    0.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9288    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3119    0.3220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9477    1.0142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5957    2.0273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6372    2.6286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6372    3.8313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0908    4.5913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9650    3.3952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0637    2.9061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8684    3.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2671    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6788    2.0273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5957    0.8247    0.0000 O   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  5  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  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
 11  7  2  0  0  0  0
 12 11  1  0  0  0  0
 12  1  1  0  0  0  0
 13 12  1  0  0  0  0
 13  4  1  0  0  0  0
 14  4  2  0  0  0  0
 15  4  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
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 22 18  1  0  0  0  0
 23 20  1  0  0  0  0
 23 16  1  0  0  0  0
 24 15  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003183-3D
FYIcenter.com

 46 51  0  0  1  0  0  0  0  0999 V2000
    1.9968    0.7493   -0.8721 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6650    0.0625    0.0892 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4223   -0.8024   -0.0701 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.8822    0.0132   -0.0155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1022   -0.9456   -0.2774 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.9491   -1.1538    0.9527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0455   -2.0284    1.7812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1203   -2.6615    0.7098 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.3309   -2.0875    0.7960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6557   -2.2694   -0.5472 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6832    0.1391    1.6184 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5246    1.1266    1.8501 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7825    1.6797    1.5370 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1657    1.5094    1.3343 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5737    0.2086    1.6419 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1480   -0.8335    0.5889 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6130   -0.9880    0.4890 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6276   -1.9993    1.3461 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5418   -1.8287    2.6174 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1729   -2.8295    3.2409 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6386   -3.6901    2.2404 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2717   -3.1164    1.0278 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1336   -0.4173    2.9964 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5971   -0.1586    3.2131 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4616   -1.1896   -1.1163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8405    0.7968   -0.8016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9829    0.5278    0.9668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7327   -0.5368   -1.0965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8146   -1.7708    0.6141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3431   -0.2518    1.4677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6588   -2.7595    2.3521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4559   -1.4142    2.4939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1200   -3.7628    0.8595 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0507   -2.8134    0.3547 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6184   -1.9475    1.8587 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6602    2.3255    2.4412 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4241    2.3230    0.7131 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7056    0.2386    1.6430 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6039   -0.6721   -0.4096 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3040   -1.8657    1.1131 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2921   -1.5574   -0.4152 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1966   -4.6989    2.3348 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7511   -3.7572    2.2858 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6957   -0.0640    3.8825 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4605    0.7345    3.8636 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1189   -0.9606    3.8109 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  5 28  1  0  0  0  0
  6  7  1  0  0  0  0
  6 29  1  0  0  0  0
  6 30  1  0  0  0  0
  7  8  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 33  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 11 17  1  0  0  0  0
 11 24  1  0  0  0  0
 13 14  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 23  1  0  0  0  0
 15 38  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 39  1  0  0  0  0
 17 40  1  0  0  0  0
 17 41  1  0  0  0  0
 18 19  2  0  0  0  0
 18 22  1  0  0  0  0
 19 20  1  0  0  0  0
 19 23  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 42  1  0  0  0  0
 21 43  1  0  0  0  0
 23 24  1  0  0  0  0
 23 44  1  0  0  0  0
 24 45  1  0  0  0  0
 24 46  1  0  0  0  0
M  END
$$$$