Molecule FYI-1000229

Home > Molecule

A

Molecule Summary:

ID: FYI-1000229
SMILES: CC12CC(C3=C4CCC(=O)C=C4CCC3C1CCC2(CCCO)O)C5=CC=C(C=C5)N(C)C

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

Molecule ID: FYI-1000229 Edit

Molecule Structure SMILES String: CC12CC(C3=C4CCC(=O)C=C4CCC3C1CCC2(CCCO)O)C5=CC=C(C=C5)N(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1000229
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-1000229-3D
FYIcenter.com

 72 76  0  0  1  0  0  0  0  0999 V2000
    1.0636   -0.4646   -0.0259 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5515   -0.7325    0.4072 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.1514   -2.0822    1.0625 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2499   -2.9867    0.0754 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.3525   -2.7465   -1.3086 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000   -2.4274   -2.5773 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5281   -2.6908   -3.1620 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6091   -3.1143   -4.6397 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3235   -2.0265   -5.4554 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0657   -1.7977   -6.6404 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4132   -1.3422   -4.8158 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7039   -1.5512   -3.4957 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8299   -0.7678   -2.9056 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7017   -1.7332   -2.1555 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8729   -2.3793   -1.0486 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.9282   -1.4003    0.1004 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0138   -0.7053    0.9287 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5759    0.7130    1.0013 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0290    0.7042    0.8883 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8341    1.9710   -0.0838 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4885    2.5390   -0.5748 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6221    3.8869   -1.2778 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0993    4.8869   -0.3995 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    0.9945    2.1421 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9918   -3.9589    1.4216 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5677   -3.3362    2.6380 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3139   -3.5807    3.8197 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2100   -4.6507    3.9023 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2031   -5.5214    2.7956 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6225   -5.1895    1.5555 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1402   -4.8086    4.9260 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3572   -6.1415    5.4904 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5233   -3.6997    5.8066 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6313   -1.0110   -0.8601 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7920    0.5394   -0.2330 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3967   -0.6270    0.8456 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8351   -1.7394    2.0408 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8966   -2.8326    1.3792 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1362   -3.9671   -0.4181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0741   -1.7769   -3.0920 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0034   -3.4796   -2.6048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3798   -3.2484   -5.0507 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1871   -4.0331   -4.7643 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9906   -0.6585   -5.4235 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4225    0.0061   -2.2451 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4272   -0.2400   -3.6568 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5694   -1.2033   -1.7429 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1048   -2.4989   -2.8297 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3664   -3.3316   -0.7979 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2248   -2.2414    0.7484 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0345   -0.8562    0.5701 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9993   -1.0718    1.9755 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0611    1.1990    0.1455 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9305    1.2175    1.9043 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4238    1.8016   -0.9932 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3146    2.8040    0.4472 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7923    2.6288    0.2659 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0636    1.8993   -1.3565 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6436    4.2023   -1.6639 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3033    3.8106   -2.1316 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4974    4.9094    0.3643 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5217    0.2058    2.7035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0007   -2.3987    2.6095 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2713   -2.8324    4.6123 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8094   -6.4229    2.8137 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8004   -5.8232    0.6962 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1747   -6.9758    4.8071 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7107   -6.2793    6.3650 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3972   -6.2310    5.8242 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5825   -2.7392    5.2846 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5278   -3.8770    6.2172 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8358   -3.6098    6.6513 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  1 36  1  0  0  0  0
  2  3  1  0  0  0  0
  2 16  1  0  0  0  0
  2 19  1  0  0  0  0
  3  4  1  0  0  0  0
  3 37  1  0  0  0  0
  3 38  1  0  0  0  0
  4  5  1  0  0  0  0
  4 25  1  0  0  0  0
  4 39  1  0  0  0  0
  5  6  2  0  0  0  0
  5 15  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7 40  1  0  0  0  0
  7 41  1  0  0  0  0
  8  9  1  0  0  0  0
  8 42  1  0  0  0  0
  8 43  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 44  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 45  1  0  0  0  0
 13 46  1  0  0  0  0
 14 15  1  0  0  0  0
 14 47  1  0  0  0  0
 14 48  1  0  0  0  0
 15 16  1  0  0  0  0
 15 49  1  0  0  0  0
 16 17  1  0  0  0  0
 16 50  1  0  0  0  0
 17 18  1  0  0  0  0
 17 51  1  0  0  0  0
 17 52  1  0  0  0  0
 18 19  1  0  0  0  0
 18 53  1  0  0  0  0
 18 54  1  0  0  0  0
 19 20  1  0  0  0  0
 19 24  1  0  0  0  0
 20 21  1  0  0  0  0
 20 55  1  0  0  0  0
 20 56  1  0  0  0  0
 21 22  1  0  0  0  0
 21 57  1  0  0  0  0
 21 58  1  0  0  0  0
 22 23  1  0  0  0  0
 22 59  1  0  0  0  0
 22 60  1  0  0  0  0
 23 61  1  0  0  0  0
 24 62  1  0  0  0  0
 25 26  2  0  0  0  0
 25 30  1  0  0  0  0
 26 27  1  0  0  0  0
 26 63  1  0  0  0  0
 27 28  2  0  0  0  0
 27 64  1  0  0  0  0
 28 29  1  0  0  0  0
 28 31  1  0  0  0  0
 29 30  2  0  0  0  0
 29 65  1  0  0  0  0
 30 66  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 32 67  1  0  0  0  0
 32 68  1  0  0  0  0
 32 69  1  0  0  0  0
 33 70  1  0  0  0  0
 33 71  1  0  0  0  0
 33 72  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-05-05, 568👍, 0💬