Marvin  10080710532D          

 18 17  0  0  0  0            999 V2000
    6.0730    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3585   -0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6441    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9296   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2151    0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717    0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2151   -0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9296    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6441   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3585    0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0730   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
> <ID>
CHEBI:44934

> <NAME>
pentaglyme

> <STAR>
3

> <SYNONYM>
pentaethyleneglycol dimethyl ether; 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE

> <IUPAC_NAME>
2,5,8,11,14,17-hexaoxaoctadecane

> <FORMULA>
C12H26O6

> <MASS>
266.33124

> <MONOISOTOPIC_MASS>
266.17294

> <CHARGE>
0

> <SMILES>
COCCOCCOCCOCCOCCOC

> <INCHI>
InChI=1S/C12H26O6/c1-13-3-5-15-7-9-17-11-12-18-10-8-16-6-4-14-2/h3-12H2,1-2H3

> <INCHIKEY>
DMDPGPKXQDIQQG-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1908876

> <CAS_REGISTRY_NUMBER>
1191-87-3

> <GMELIN_REGISTRY_NUMBER>
336126

> <CHEMIDPLUS>
1191-87-3

> <DRUGBANK_ACCESSION>
DB02580

> <NIST_CHEMISTRY_WEBBOOK>
1191-87-3

> <PDBECHEM_ACCESSION>
PG6

$$$$