Molecule Editor

Molecule ID: FYI-1003474 Edit

Molecule Structure InChIKey: XOFYZVNMUHMLCC-UHFFFAOYSA-N

Molecule Structure SMILES String: CC14C=CC(=O)C=C1CCC3C2CCC(O)(C(=O)CO)C2(C)CC(=O)C34

Download SDF Download SVG Structure in 2D SDF:

FYI-1003474
FYIcenter.com

 26 29  0  0  0  0  0  0  0  0999 V2000
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    3.3275    5.5146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1366    3.8857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0770    4.9302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4826    4.9302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9169    6.2669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7798    7.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7798    8.4986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3454    8.4986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7526    7.8449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5709    2.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6305    1.5045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3152    0.7523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9404    1.0445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5061    2.3811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4466    3.4256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8214    3.1334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3870    4.4701    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  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  8  2  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  2  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16 11  1  0  0  0  0
 17  7  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  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
 23 21  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 25  6  1  0  0  0  0
 25 19  1  0  0  0  0
 26 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003474-3D
FYIcenter.com

 52 55  0  0  1  0  0  0  0  0999 V2000
    1.1155   -0.1135    0.0616 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4100   -0.1246   -0.7671 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.3268   -1.3124   -1.7271 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8959   -1.3014   -2.9374 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5090   -0.0551   -3.4427 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3315   -0.0764   -4.3480 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1499    1.2156   -2.7606 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6381    1.1847   -1.5154 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6245    2.4128   -0.6481 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7603    2.3427    0.3933 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4865    0.9758    0.5473 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1441    0.7297    1.9455 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.2391    1.7864    2.2509 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4310    1.0050    2.8057 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3767   -0.3003    2.0034 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.6795    0.0224    0.6398 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3911   -1.3453    2.5098 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7216   -1.4293    3.6939 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0361   -2.2411    1.4570 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9731   -3.1646    1.9912 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8734   -0.6844    2.1180 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.5060   -1.2840    3.4997 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4387   -1.7300    1.0838 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9762   -1.4959    0.8240 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0895   -2.2155    1.2718 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7499   -0.2689   -0.0279 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.0680    0.7018    0.7931 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9679   -1.0405    0.6236 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2387   -0.0073   -0.5940 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9246   -2.2469   -1.3320 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0003   -2.1959   -3.5397 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4922    2.1201   -3.2370 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6586    2.5198   -0.1423 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8844   -2.3092    3.5941 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4174   -1.3356    3.6241 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6038   -2.7644    1.4017 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9720   -1.6280    0.1309 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4399   -0.5276   -0.8533 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  3 30  1  0  0  0  0
  4  5  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 32  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 11  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 11 12  1  0  0  0  0
 11 26  1  0  0  0  0
 11 37  1  0  0  0  0
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 12 21  1  0  0  0  0
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 14 15  1  0  0  0  0
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 15 16  1  0  0  0  0
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 15 21  1  0  0  0  0
 16 43  1  0  0  0  0
 17 18  2  0  0  0  0
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 19 20  1  0  0  0  0
 19 44  1  0  0  0  0
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 21 22  1  0  0  0  0
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M  END
$$$$