Molecule FYI-1015307

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A

Molecule Summary:

ID: FYI-1015307
Names:
InChIKey: WAROSQLUUOOPIA-UHFFFAOYSA-N
SMILES: CC2=CCC1C(C)(CO)CCCC1(C)C2CO

Received at FYIcenter.com on: 2025-08-03

Molecule ID: FYI-1015307 Edit

Molecule Structure InChIKey: WAROSQLUUOOPIA-UHFFFAOYSA-N

Molecule Structure SMILES String: CC2=CCC1C(C)(CO)CCCC1(C)C2CO

Download SDF Download SVG Structure in 2D SDF:

FYI-1015307
FYIcenter.com

 17 18  0  0  0  0  0  0  0  0999 V2000
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    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  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
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
 11  2  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 10  1  0  0  0  0
 15  6  1  0  0  0  0
 16  6  1  0  0  0  0
 17 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015307-3D
FYIcenter.com

 43 44  0     1  0  0  0  0  0999 V2000
   -4.2004    0.3394    0.7614 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9526   -1.4029   -0.5119 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3593   -0.6039    0.2468 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5510    0.5241   -0.3654 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1038    0.2739   -0.3819 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8478   -0.3078   -0.2323 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0926   -1.9827   -0.3032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3944   -1.1586   -0.8895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1408    1.9048    0.1877 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5908   -2.2339   -0.1720 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3173   -0.6494    1.7952 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2512    1.1592   -0.0625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8139    0.5000    0.9674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7703    1.2522   -1.3857 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3414    2.1274    0.1476 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8821   -1.2605    0.3965 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7065    1.5189   -0.1981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2764    0.5439   -1.4344 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8740   -0.4770   -1.3205 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4322   -2.7992    0.2051 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1769   -2.0596   -1.3650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1519   -1.2154   -1.9601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4613   -1.4020   -0.8185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4812    2.0435    1.2188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6091    2.6934   -0.4115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8264   -3.2089   -0.6156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8840   -2.2990    0.8806 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6758    0.2773    2.2523 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9457   -1.4574    2.1861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6791   -0.8431    2.1873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6465    1.5107    1.3506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5164   -0.2148    1.7319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7595    2.2832   -1.0166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8142    0.9872   -1.5899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2512    1.2406   -2.3513 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6685    3.1571    0.2703 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4778   -2.2620    0.5575 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2609   -0.8898    1.3551 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2977    1.0966    0.6196 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8638    2.6032   -0.1782 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1018    1.1588   -1.1533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6398    0.4932    1.6150 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6034   -1.9971   -0.1010 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 42  1  0  0  0  0
  2 16  1  0  0  0  0
  2 43  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  4 18  1  0  0  0  0
  5  8  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6 12  1  0  0  0  0
  6 16  1  0  0  0  0
  6 19  1  0  0  0  0
  7 10  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 10  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 15  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 15  2  0  0  0  0
 12 17  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 17 39  1  0  0  0  0
 17 40  1  0  0  0  0
 17 41  1  0  0  0  0
M  END
$$$$

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2025-08-18, 792👍, 0💬