Molecule FYI-1013009

A

Molecule Summary:

ID: FYI-1013009
Names:
InChIKey: FLEGECDIBUAHTM-OBKDMQGPSA-N
SMILES: CCCCCCCCCCCCO[C@H]1O[C@H](COCCO)[C@@H](O)[C@H](O)[C@H]1O

Received at FYIcenter.com on: 2024-11-07

Molecule ID: FYI-1013009 Edit

Molecule Structure InChIKey: FLEGECDIBUAHTM-OBKDMQGPSA-N

Molecule Structure SMILES String: CCCCCCCCCCCCO[C@H]1O[C@H](COCCO)[C@@H](O)[C@H](O)[C@H]1O

Download SDF Download SVG Structure in 2D SDF:

FYI-1013009
FYIcenter.com

 27 27  0  0  1  0  0  0  0  0999 V2000
   24.2487    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6115    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7618    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 O   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
    7.2747    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    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 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 O   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
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 23 14  1  0  0  0  0
 23 24  1  6  0  0  0
 18 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013009-3D
FYIcenter.com

 67 67  0  0  1  0  0  0  0  0999 V2000
    0.8976   -1.1405    0.8699 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3973   -0.9639    0.7205 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9370    0.0080    1.7628 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4447    0.1920    1.6139 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9623    1.1651    2.6642 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4659    1.3668    2.5365 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9437    2.3447    3.5997 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4441    2.5742    3.4995 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8965    3.5636    4.5681 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3938    3.7880    4.4546 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9026    4.7726    5.4975 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4097    4.8899    5.3496 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9204    5.7263    6.3749 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3165    6.0064    6.2319 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.7087    6.9282    7.2509 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4161    6.4527    8.5712 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.7588    7.5574    9.5818 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8930    8.6786    9.3541 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1549    9.7423   10.2745 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2729   10.9294    9.9041 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8968   10.5566    9.9636 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2124    5.1715    8.8483 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.8737    4.6390   10.1214 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9703    4.1324    7.7323 C   0  0  2  0  0  0  0  0  0  0  0  0
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    4.7274    0.7868    3.6666 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4193    3.3013    3.4860 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6953    2.9609    2.5037 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4309    5.7547    5.3801 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 30  1  0  0  0  0
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M  END
$$$$

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2024-11-23, 1032👍, 0💬