Molecule Editor

Molecule ID: FYI-1006678 Edit

Molecule Structure InChIKey: CDLSCSXOZKFNDL-UHFFFAOYSA-N

Molecule Structure SMILES String: C=CC(C)(C)c3cc(O)c(O)c4c(=O)c2cc1C=CC(C)(C)Oc1c(O)c2oc34

Download SDF Download SVG Structure in 2D SDF:

FYI-1006678
FYIcenter.com

 29 32  0  0  0  0  0  0  0  0999 V2000
    5.0373    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    4.0124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2498    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2498    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    6.1124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2498    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6124    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6747    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6747    4.0124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    8.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    9.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124   10.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    9.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    8.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   10.8248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    5.4124    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  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  2  0  0  0  0
  8  5  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  4  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 12  1  0  0  0  0
 15 12  1  0  0  0  0
 16 15  2  0  0  0  0
 17  9  1  0  0  0  0
 18  8  1  0  0  0  0
 19  2  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 22  1  1  0  0  0  0
 23 21  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 26 20  1  0  0  0  0
 27 25  1  0  0  0  0
 28 25  1  0  0  0  0
 29 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006678-3D
FYIcenter.com

 51 54  0     0  0  0  0  0  0999 V2000
    0.7041   -0.7490   -0.0795 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9875   -1.0073   -0.0687 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5752   -2.1756   -0.1375 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2733    3.3670    0.1043 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6501    3.3365    0.1231 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5674    1.8758    0.0146 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0291   -2.2728   -0.1723 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0589   -0.7808   -0.0985 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8778   -0.0371   -0.0532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3098   -0.4278   -0.0475 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9407    1.3542    0.0150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5626    1.3350    0.0288 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.8971   -0.1844   -0.0348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9806    1.2080    0.0331 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4332   -2.9698   -0.1594 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3747   -2.7239   -1.5194 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6836    2.1163    0.0610 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2937   -0.1316   -0.0757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6494   -0.8142   -0.0707 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8070    1.9715    0.0655 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2680    1.2025   -0.0236 H   0  0  0  0  0  0  0  0  0  0  0  0
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 29 48  1  0  0  0  0
M  END
$$$$