Molecule FYI-1000226

Home > Molecule

A

Molecule Summary:

ID: FYI-1000226
SMILES: CC1=CC(=O)CC2C1(C3CCC4(C(C3CC2)CCC4O)C)C

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

Molecule ID: FYI-1000226 Edit

Molecule Structure SMILES String: CC1=CC(=O)CC2C1(C3CCC4(C(C3CC2)CCC4O)C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1000226
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-1000226-3D
FYIcenter.com

 52 55  0  0  1  0  0  0  0  0999 V2000
    1.6380   -1.1579   -0.1899 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6635   -0.0720   -0.3220 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5584   -0.1680   -1.3379 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5415    0.8606   -1.6570 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2823    0.7395   -2.6368 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6106    2.0988   -0.7849 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0968    1.7224    0.6063 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5987    1.2164    0.5614 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.9993    1.0954    2.0835 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.4462    1.2244    2.0964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2151    1.7504    3.3469 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4007    2.9735    4.0628 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.8221    2.4183    4.4333 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5732    2.1895    3.0431 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.0884    2.3201    3.0206 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4343    2.8188    1.6098 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3490    3.5773    5.2675 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0550    4.7951    4.3879 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8420    4.3842    3.4719 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.1184    5.4310    3.5083 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6584    3.3315    5.1330 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792    2.1401   -0.2972 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8949   -1.0740   -0.9965 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1144   -1.1582    0.7606 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1142   -2.1542   -0.2828 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5466   -1.0199   -2.0237 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0484    2.9232   -1.2455 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6558    2.4300   -0.7226 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7018    0.8635    0.9364 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2879    0.1157    2.4922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0008    0.2587    1.8408 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0913    1.9310    1.3549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2046    0.9126    4.0740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2810    1.9011    3.1361 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7897    1.4984    5.0256 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3204    3.0551    2.4557 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5901    1.3733    3.2458 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4552    3.0623    3.7352 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4988    3.0759    1.5668 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8932    3.7467    1.3660 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3946    3.4769    5.5687 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7763    3.6519    6.2039 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9410    5.0131    3.7798 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8599    5.6774    5.0047 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1342    4.3513    2.4201 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3545    6.2445    3.2480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8641    2.5185    5.8275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6025    3.5631    4.6084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4209    4.2358    5.7025 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0437    2.3135   -1.3130 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5231    3.1158    0.1710 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7009    1.6664   -0.4707 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2  3  2  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  3 26  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7  8  1  0  0  0  0
  7 16  1  0  0  0  0
  7 29  1  0  0  0  0
  8  9  1  0  0  0  0
  8 22  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
  9 30  1  0  0  0  0
 10 11  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 12  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 13  1  0  0  0  0
 12 19  1  0  0  0  0
 12 21  1  0  0  0  0
 13 14  1  0  0  0  0
 13 17  1  0  0  0  0
 13 35  1  0  0  0  0
 14 15  1  0  0  0  0
 14 36  1  0  0  0  0
 15 16  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
 17 18  1  0  0  0  0
 17 41  1  0  0  0  0
 17 42  1  0  0  0  0
 18 19  1  0  0  0  0
 18 43  1  0  0  0  0
 18 44  1  0  0  0  0
 19 20  1  0  0  0  0
 19 45  1  0  0  0  0
 20 46  1  0  0  0  0
 21 47  1  0  0  0  0
 21 48  1  0  0  0  0
 21 49  1  0  0  0  0
 22 50  1  0  0  0  0
 22 51  1  0  0  0  0
 22 52  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-05-05, 2227👍, 0💬