Molecule FYI-1010828

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A

Molecule Summary:

ID: FYI-1010828
Names:
InChIKey: PEBGVJDZSCCLNH-SECBINFHSA-N
SMILES: CCCCC[C@@H]1CC(O)=C(C)C(=O)O1

Received at FYIcenter.com on: 2024-07-15

Molecule ID: FYI-1010828 Edit

Molecule Structure InChIKey: PEBGVJDZSCCLNH-SECBINFHSA-N

Molecule Structure SMILES String: CCCCC[C@@H]1CC(O)=C(C)C(=O)O1

Download SDF Download SVG Structure in 2D SDF:

FYI-1010828
FYIcenter.com

 14 14  0  0  1  0  0  0  0  0999 V2000
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    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  1  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
 12  6  1  0  0  0  0
 13  9  1  0  0  0  0
 14  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010828-3D
FYIcenter.com

 32 32  0     1  0  0  0  0  0999 V2000
    0.4150   -0.7635   -0.2809 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4957    1.9790    0.1556 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8833   -2.4757   -0.3412 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1468    0.5761    0.1768 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2517    0.9575   -0.2869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3093    0.0274    0.3052 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1963    1.5221   -0.3799 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7097    0.3931   -0.1894 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5488    0.9939   -0.0213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7724   -0.5154    0.4284 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7771   -0.3251    0.1245 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6694   -1.2785   -0.1767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1693   -0.1337   -0.0344 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0798   -0.9573    0.5202 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1753    0.5672    1.2750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3067    0.8983   -1.3814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4705    1.9934   -0.0011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2784    0.0881    1.4000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0971   -1.0136    0.0339 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0325    2.5225    0.0374 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1295    1.5969   -1.4721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9273    1.4374    0.0662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7477    0.3134   -1.2827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5744   -1.5586    0.1560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7276   -0.4515    1.5219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4109    0.8944    0.2534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2581   -0.2161   -1.1224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9131   -0.7969    0.4183 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9483   -1.5742    1.4152 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8440   -0.2068    0.7461 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4633   -1.5885   -0.2879 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1017    2.8373   -0.0744 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 12  1  0  0  0  0
  2  9  1  0  0  0  0
  2 32  1  0  0  0  0
  3 12  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6  8  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7  9  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 11  2  0  0  0  0
 10 13  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
M  END
$$$$

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2024-07-25, 1986👍, 0💬