Marvin  08220617382D          

  6  5  0  0  0  0            999 V2000
   -0.1191   -0.3438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5954    0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8335    0.0687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5480   -0.3438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5954    0.8938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3099   -0.3437    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
M  END
> <ID>
CHEBI:17967

> <NAME>
urethane

> <DEFINITION>
A carbamate ester obtained by the formal condensation of ethanol with carbamic acid. It has been found in alcoholic beverages.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:9892; CHEBI:15295; CHEBI:27225

> <SYNONYM>
urethane; Urethane; Ethyl carbamate; carbamic acid ethyl ester

> <IUPAC_NAME>
ethyl carbamate

> <FORMULA>
C3H7NO2

> <MASS>
89.09322

> <MONOISOTOPIC_MASS>
89.04768

> <CHARGE>
0

> <SMILES>
CCOC(N)=O

> <INCHI>
InChI=1S/C3H7NO2/c1-2-6-3(4)5/h2H2,1H3,(H2,4,5)

> <INCHIKEY>
JOYRKODLDBILNP-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
51-79-6

> <REAXYS_REGISTRY_NUMBER>
635810

> <DRUGBANK_ACCESSION>
DB04827

> <KEGG_COMPOUND_ACCESSION>
C01537

> <LINCS_ACCESSION>
LSM-37020

> <WIKIPEDIA_ACCESSION>
Ethyl_carbamate

> <PUBMED_CITATION>
15790490; 24386880

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