Marvin  06100623032D          

  4  3  0  0  0  0            999 V2000
    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
    1.0718    0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0718   -0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
M  END
> <ID>
CHEBI:30742

> <NAME>
ethylene glycol

> <DEFINITION>
A 1,2-glycol compound produced via reaction of ethylene oxide with water.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:42277; CHEBI:5473; CHEBI:21317

> <SYNONYM>
Monoethylene glycol; HO-CH2-CH2-OH; Glycol; ethylene glycol; Ethylene glycol; Ethanediol; 2-Hydroxyethanol; 1,2-ETHANEDIOL; 1,2-Ethanediol; 1,2-Dihydroxyethane

> <IUPAC_NAME>
ethylene glycol; ethane-1,2-diol

> <FORMULA>
C2H6O2

> <MASS>
62.06784

> <MONOISOTOPIC_MASS>
62.03678

> <CHARGE>
0

> <SMILES>
OCCO

> <INCHI>
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2

> <INCHIKEY>
LYCAIKOWRPUZTN-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
505945

> <CAS_REGISTRY_NUMBER>
107-21-1

> <GMELIN_REGISTRY_NUMBER>
943

> <REAXYS_REGISTRY_NUMBER>
505945

> <CHEMIDPLUS>
107-21-1

> <KEGG_COMPOUND_ACCESSION>
C01380

> <KNAPSACK_ACCESSION>
C00007409

> <METACYC_ACCESSION>
GLYCOL

> <NIST_CHEMISTRY_WEBBOOK>
107-21-1

> <PDBECHEM_ACCESSION>
EDO

> <WIKIPEDIA_ACCESSION>
Ethylene_Glycol

> <PUBMED_CITATION>
10349109; 15716482; 16901854; 17186009; 17336832; 17439666; 17979222; 18612987; 23764541; 23827374; 24045699; 24643482; 25108762; 9463526

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