Marvin  01270720442D          

  7  6  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    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862   -0.2062    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.7862    0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  4  6  1  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  7  2  0  0  0  0
M  CHG  1   4  -1
M  END
> <ID>
CHEBI:16724

> <NAME>
4-hydroxybutyrate

> <DEFINITION>
A 4-hydroxy monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of 4-hydroxybutyric acid.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:12006; CHEBI:20401

> <SYNONYM>
GHB; gamma-hydroxybutyrate; 4-hydroxybutanoate

> <IUPAC_NAME>
4-hydroxybutanoate

> <FORMULA>
C4H7O3

> <MASS>
103.09658

> <MONOISOTOPIC_MASS>
103.04007

> <CHARGE>
-1

> <SMILES>
OCCCC([O-])=O

> <INCHI>
InChI=1S/C4H8O3/c5-3-1-2-4(6)7/h5H,1-3H2,(H,6,7)/p-1

> <INCHIKEY>
SJZRECIVHVDYJC-UHFFFAOYSA-M

> <BEILSTEIN_REGISTRY_NUMBER>
3903887

> <GMELIN_REGISTRY_NUMBER>
1524032

> <DRUGBANK_ACCESSION>
DB01440

> <KEGG_COMPOUND_ACCESSION>
C00989

$$$$