Molecule FYI-1000223

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A

Molecule Summary:

ID: FYI-1000223
SMILES: CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O

Received at FYIcenter.com on: 2021-01-22

Molecule ID: FYI-1000223 Edit

Molecule Structure SMILES String: CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1000223
FYIcenter.com

 20 23  0  0  0  0  0  0  0  0999 V2000
    8.8861    2.8544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6738    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5274    3.5468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2485    4.1162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1159    3.2933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2622    1.9009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5412    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9738    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3738    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8063    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1378    1.7641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1295    1.0780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8506    1.6475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7042    3.0398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8368    3.8627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6906    5.2550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4115    5.8245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2789    5.0015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4253    3.6092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5710    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
  7  6  1  0  0  0  0
  7  2  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
 10  2  1  0  0  0  0
 11 10  1  0  0  0  0
 12  6  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 15  5  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 19 14  1  0  0  0  0
 20 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000223-3D
FYIcenter.com

 44 47  0  0  1  0  0  0  0  0999 V2000
    0.7795   -0.2353    1.1611 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0439   -0.3298    0.2531 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.4761   -0.4357   -1.1971 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9499   -1.5527   -2.1279 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4686   -2.8074   -1.4187 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5670   -2.4261   -0.4203 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9723   -1.5137    0.6863 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.0762   -0.8736    1.5373 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3207    0.4771    0.8809 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9206    0.9548    0.5150 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4582    1.7285    1.6300 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8026   -1.9146   -1.1919 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3699   -2.9871   -2.1258 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3366   -3.8292   -2.8232 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9804   -3.8013   -2.4491 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0775   -4.6790   -3.0747 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5084   -5.5612   -4.0697 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8442   -5.5635   -4.4463 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7555   -4.7224   -3.8240 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3088   -6.3991   -5.4177 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0643   -1.0385    0.9534 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2546    0.7136    0.9758 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0206   -0.2860    2.2268 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5721    0.5243   -1.7187 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3880   -0.5857   -1.1384 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1165   -1.8323   -2.7883 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6473   -3.2797   -0.8610 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8975   -3.3412    0.0963 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3903   -2.1829    1.3367 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9851   -1.4798    1.6018 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7196   -0.7341    2.5649 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9312    0.3928   -0.0200 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8436    1.1517    1.5671 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9452    1.6328   -0.3416 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6132    1.2170    2.4446 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6132   -1.6225   -0.5169 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5535   -1.0235   -1.7782 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0014   -3.6636   -1.5353 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0141   -2.5016   -2.8690 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0277   -4.6802   -2.7863 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7904   -6.2267   -4.5348 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8046   -4.7530   -4.1268 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5598   -6.9081   -5.7682 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  3 24  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 15  1  0  0  0  0
  5 28  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  1  0  0  0  0
  6 29  1  0  0  0  0
  7  8  1  0  0  0  0
  7 30  1  0  0  0  0
  8  9  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  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
 11 36  1  0  0  0  0
 12 13  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 14  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 15  2  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 41  1  0  0  0  0
 17 18  1  0  0  0  0
 17 42  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 43  1  0  0  0  0
 20 44  1  0  0  0  0
M  END
$$$$

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2022-05-05, 1585👍, 0💬