Ketcher 04262114002D 1   1.00000     0.00000     0

 15 15  0     0  0            999 V2000
    0.7978    1.1567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4844    2.1058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5013    2.1058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8294    1.1313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8168    1.0775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1023    0.1150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7833    1.1597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1107    0.2114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2983   -0.4733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3275   -0.3903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5675   -1.4569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6843   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7460   -2.0163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9157   -1.9490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0533   -1.4107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  7  8  1  0     0  0
  6  9  1  0     0  0
  4  5  1  0     0  0
  8 10  1  0     0  0
  1  2  1  0     0  0
  9 11  1  0     0  0
  5  6  1  0     0  0
 10 12  1  0     0  0
  2  3  1  0     0  0
 11 13  1  0     0  0
  1  7  1  0     0  0
 12 14  1  0     0  0
  3  4  1  0     0  0
 13 15  1  0     0  0
 14 15  1  0     0  0
M  END
> <ID>
CHEBI:32401

> <NAME>
15-crown-5

> <DEFINITION>
A saturated organic heteromonocyclic parent that is cyclopentadecane in which the carbon atoms at positions 1, 4, 7, 10 and 13 have been replaced by oxygen atoms to give a crown ether.

> <STAR>
3

> <SYNONYM>
[15]crown-5; 15C5; 15-crown-5 ether

> <IUPAC_NAME>
1,4,7,10,13-pentaoxacyclopentadecane

> <FORMULA>
C10H20O5

> <MASS>
220.265

> <MONOISOTOPIC_MASS>
220.13107

> <CHARGE>
0

> <SMILES>
C1COCCOCCOCCOCCO1

> <INCHI>
InChI=1S/C10H20O5/c1-2-12-5-6-14-9-10-15-8-7-13-4-3-11-1/h1-10H2

> <INCHIKEY>
VFTFKUDGYRBSAL-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1618144

> <CAS_REGISTRY_NUMBER>
33100-27-5

> <GMELIN_REGISTRY_NUMBER>
3897

> <REAXYS_REGISTRY_NUMBER>
1618144

> <CHEMIDPLUS>
33100-27-5

> <NIST_CHEMISTRY_WEBBOOK>
33100-27-5

> <PDBECHEM_ACCESSION>
EYO

> <WIKIPEDIA_ACCESSION>
15-Crown-5

> <PUBMED_CITATION>
11170547; 11322550; 11421684; 11666878; 11670619; 11671170; 11671346; 15236559; 16127498; 16370007; 16462949; 16539458; 18228552; 18345599; 19029702; 19029703; 20442946; 20631425; 20677796; 21090626; 21344110; 21422612; 21581166; 22810908; 23881475; 24149339; 24281270; 24467294; 24563561; 24870359; 29896395; 29953704; 30411741; 32496214

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