Molecule FYI-1011420

A

Molecule Summary:

ID: FYI-1011420
Names:
InChIKey: QGJZLNKBHJESQX-UHFFFAOYSA-N
SMILES: C=C(C)C4CCC5(C(=O)O)CCC3(C)C(CCC2C1(C)CCC(O)C(C)(C)C1CCC23C)C45

Received at FYIcenter.com on: 2024-08-08

Molecule ID: FYI-1011420 Edit

Molecule Structure InChIKey: QGJZLNKBHJESQX-UHFFFAOYSA-N

Molecule Structure SMILES String: C=C(C)C4CCC5(C(=O)O)CCC3(C)C(CCC2C1(C)CCC(O)C(C)(C)C1CCC23C)C45

Download SDF Download SVG Structure in 2D SDF:

FYI-1011420
FYIcenter.com

 33 37  0  0  0  0  0  0  0  0999 V2000
    6.1554    9.2943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9430    9.9943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9430   11.3941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7307    9.2943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4519    9.8637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5151    8.8234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2150    7.6111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5844    7.9022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5210    6.8618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8903    7.1528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8271    6.1126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3945    4.7811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3311    3.7409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7004    4.0319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6372    2.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2046    1.6603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8352    1.3692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8986    2.4095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5292    2.1184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5926    3.1588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0251    4.4901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0885    5.5305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7191    5.2395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7825    6.2797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3059    4.1991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8275    4.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7950    0.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1263    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1413    0.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7637    5.0723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8228    7.4647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.5973    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2535    6.1859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  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
  8  7  1  0  0  0  0
  8  4  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
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 18 13  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 21 12  1  0  0  0  0
 22 21  1  0  0  0  0
 22  9  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 24  7  1  0  0  0  0
 25 22  1  0  0  0  0
 26 21  1  0  0  0  0
 27 17  1  0  0  0  0
 28 17  1  0  0  0  0
 29 16  1  0  0  0  0
 30 13  1  0  0  0  0
 31  7  1  0  0  0  0
 32 31  2  0  0  0  0
 33 31  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1011420-3D
FYIcenter.com

 81 85  0  0  1  0  0  0  0  0999 V2000
    0.9595    0.7040    0.0183 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8936    0.1961   -0.8613 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2210    0.1401   -2.2277 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6168   -0.5600   -0.8701 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2162   -0.7818    0.5082 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4448   -1.1719   -0.1167 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6154   -1.3446   -1.2893 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.6890   -1.6582   -2.3515 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7989   -2.1411   -2.1478 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2082   -1.4448   -3.5775 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6698   -2.6656   -0.9690 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0112   -2.6704    0.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1188   -1.1296    1.1390 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.7309   -1.9674    0.6358 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7439    0.6234    0.2958 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.3788    1.9824    0.7729 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6781    1.8659    2.2553 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8461    0.7746    2.9788 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.6066    1.3195    4.4252 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.0196    1.5372    5.0514 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0032    2.7923    4.3983 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3786    3.2103    5.7173 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3431    2.1787    6.0756 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.6036    2.7047    6.9807 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9872    0.8037    6.4446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1323   -0.0443    7.0763 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1687    0.6814    7.4355 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4961    0.3699    5.0548 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.8186   -1.0921    4.9216 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6940   -1.4433    3.4210 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0009   -0.9087    2.7224 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.9558   -2.0315    3.3549 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7883    0.2461   -1.1113 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.1918    1.4262   -0.3025 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5024    0.1724    0.8556 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1733   -0.2096   -2.1411 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7336   -0.5738   -2.8637 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2297    1.1466   -2.6451 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5285   -0.3356   -1.9230 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0392   -1.2257    1.4529 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6390    0.0361    1.1246 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8623   -2.0224    0.4281 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1462   -0.3362   -0.1411 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2942   -1.1403   -3.5850 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2688   -3.5762   -1.0719 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8695   -2.7271   -1.7149 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8326   -2.9469    1.2086 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4054   -3.5911    0.6152 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7173   -2.1736   -0.4442 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7475   -1.6231    0.9536 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7180   -2.9869    1.0703 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6951    1.0672    0.6644 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4003    2.3966    0.5448 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0555    2.7573    0.3417 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4720    2.8873    2.5933 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7553    1.7263    2.4582 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8626    0.9229    2.5109 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5501    2.3576    4.5386 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6712    0.6656    4.9639 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0045    1.9117    6.0746 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2541    2.8701    3.5968 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7538    3.5633    4.1842 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9248    4.2028    5.6217 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1324    3.2958    6.5057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2633    2.0182    5.1661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2519    3.1712    6.4142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4362    0.4281    8.0207 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1937   -1.0559    7.3387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0129   -0.1194    6.4350 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2808    1.5394    8.0949 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1219    0.4815    6.9472 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0861   -0.2260    8.0475 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6238    0.4799    4.3911 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1717   -1.7514    5.4995 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8179   -1.2058    5.3430 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7881   -0.9959    2.9909 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5471   -2.5277    3.3143 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8235   -2.3324    4.3950 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0260   -1.9165    3.2239 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6666   -3.0025    2.8950 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8404    0.8789   -1.9802 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 36  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 33  1  0  0  0  0
  4 39  1  0  0  0  0
  5  6  1  0  0  0  0
  5 40  1  0  0  0  0
  5 41  1  0  0  0  0
  6  7  1  0  0  0  0
  6 42  1  0  0  0  0
  6 43  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  7 33  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 44  1  0  0  0  0
 11 12  1  0  0  0  0
 11 45  1  0  0  0  0
 11 46  1  0  0  0  0
 12 13  1  0  0  0  0
 12 47  1  0  0  0  0
 12 48  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 31  1  0  0  0  0
 14 49  1  0  0  0  0
 14 50  1  0  0  0  0
 14 51  1  0  0  0  0
 15 16  1  0  0  0  0
 15 33  1  0  0  0  0
 15 52  1  0  0  0  0
 16 17  1  0  0  0  0
 16 53  1  0  0  0  0
 16 54  1  0  0  0  0
 17 18  1  0  0  0  0
 17 55  1  0  0  0  0
 17 56  1  0  0  0  0
 18 19  1  0  0  0  0
 18 31  1  0  0  0  0
 18 57  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 28  1  0  0  0  0
 20 58  1  0  0  0  0
 20 59  1  0  0  0  0
 20 60  1  0  0  0  0
 21 22  1  0  0  0  0
 21 61  1  0  0  0  0
 21 62  1  0  0  0  0
 22 23  1  0  0  0  0
 22 63  1  0  0  0  0
 22 64  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 65  1  0  0  0  0
 24 66  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 26 67  1  0  0  0  0
 26 68  1  0  0  0  0
 26 69  1  0  0  0  0
 27 70  1  0  0  0  0
 27 71  1  0  0  0  0
 27 72  1  0  0  0  0
 28 29  1  0  0  0  0
 28 73  1  0  0  0  0
 29 30  1  0  0  0  0
 29 74  1  0  0  0  0
 29 75  1  0  0  0  0
 30 31  1  0  0  0  0
 30 76  1  0  0  0  0
 30 77  1  0  0  0  0
 31 32  1  0  0  0  0
 32 78  1  0  0  0  0
 32 79  1  0  0  0  0
 32 80  1  0  0  0  0
 33 81  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-08-14, 772👍, 0💬