Molecule FYI-1014577

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A

Molecule Summary:

ID: FYI-1014577
Names:
InChIKey: ITYNGVSTWVVPIC-UHFFFAOYSA-N
SMILES: C=C1CCC3C(C2C(C)CCC12)C3(C)C

Received at FYIcenter.com on: 2025-04-29

Molecule ID: FYI-1014577 Edit

Molecule Structure InChIKey: ITYNGVSTWVVPIC-UHFFFAOYSA-N

Molecule Structure SMILES String: C=C1CCC3C(C2C(C)CCC12)C3(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1014577
FYIcenter.com

 39 41  0  0  0  0  0  0  0  0999 V2000
    4.9864    3.8923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3750    3.8923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6807    5.0948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6135    3.6853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5956    4.6297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1734    6.3873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0298    2.4255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5774    3.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0156    2.5511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3829    3.9536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6512    2.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8466    6.7965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6994    6.0144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7060    1.2127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4969    6.7086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0740    2.4494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9317    5.6972    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2562    1.2724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7799    2.5038    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.8291    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3244    2.1820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3423    1.2376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3539    8.0890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9809    7.8821    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9117    1.8638    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4969    8.0971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2944    6.0144    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 16  1  0  0  0  0
  2  3  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3  6  1  0  0  0  0
  3 17  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4 18  1  0  0  0  0
  5 10  1  0  0  0  0
  5 13  1  0  0  0  0
  5 19  1  0  0  0  0
  6 12  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7 11  1  0  0  0  0
  7 14  1  0  0  0  0
  7 22  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 11  1  0  0  0  0
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 11 31  1  0  0  0  0
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 12 33  1  0  0  0  0
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 13 15  2  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014577-3D
FYIcenter.com

 39 41  0     1  0  0  0  0  0999 V2000
    0.9887   -0.2673   -0.5800 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2767    0.1659    0.0696 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4432    1.1696   -0.6833 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2211   -0.5966    0.2489 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4872    0.0195   -0.4078 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7192    2.2662    0.0419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5275   -2.1071    0.4175 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2757    0.2693    1.5584 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5859   -0.2929   -0.4769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5819   -1.0146   -0.1197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8481   -2.3327   -0.3223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7004    2.4771   -0.4993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7149    1.4626    0.0066 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5533   -3.0958    0.0065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7617    1.8766    0.7399 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0258   -0.8254   -1.5091 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7891    1.4980   -1.6580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1654   -0.1955    1.2629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3580    0.0287   -1.5015 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2883    3.1883   -0.1355 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6680    2.1692    1.1265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7226   -2.2763    1.4869 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3805    0.6205    2.0679 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5005   -0.7139    1.9902 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0808    0.9439    1.8752 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8464   -1.2808   -0.0826 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5636   -0.3682   -1.5696 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3851    0.4064   -0.2096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4366   -0.9140   -0.7957 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.4089   -3.1803    0.0835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6773   -2.5139   -1.3904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6960    2.4567   -1.5966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0183    3.4896   -0.2180 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4872   -2.9003    0.5427 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417   -4.1187    0.2441 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7551   -3.0591   -1.0685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5220    1.1978    1.1062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8884    2.9235    0.9971 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 16  1  0  0  0  0
  2  3  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3  6  1  0  0  0  0
  3 17  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4 18  1  0  0  0  0
  5 10  1  0  0  0  0
  5 13  1  0  0  0  0
  5 19  1  0  0  0  0
  6 12  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7 11  1  0  0  0  0
  7 14  1  0  0  0  0
  7 22  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 11  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 15  2  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
M  END
$$$$

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2025-05-12, 1257👍, 0💬