Marvin  01140815192D          

  8  7  0  0  1  0            999 V2000
    1.0717   -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  1  0  0  0  0  0  0  0  0  0
    1.7862    0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -1.0313    0.0000 O   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 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  6  1  1  0  0  0  0
  2  6  1  0  0  0  0
  7  2  1  0  0  0  0
  3  1  1  0  0  0  0
  6  4  2  0  0  0  0
  2  5  1  6  0  0  0
  7  8  1  0  0  0  0
M  END
> <ID>
CHEBI:16023

> <NAME>
D-erythrulose

> <STAR>
3

> <SECONDARY_ID>
CHEBI:4115; CHEBI:12922; CHEBI:20928

> <SYNONYM>
D-glycero-Tetrulose; D-erythrulose; D-Erythrulose

> <IUPAC_NAME>
D-glycero-tetrulose; D-erythrulose; (3R)-1,3,4-trihydroxybutan-2-one

> <FORMULA>
C4H8O4

> <MASS>
120.10392

> <MONOISOTOPIC_MASS>
120.04226

> <CHARGE>
0

> <SMILES>
OC[C@@H](O)C(=O)CO

> <INCHI>
InChI=1S/C4H8O4/c5-1-3(7)4(8)2-6/h3,5-7H,1-2H2/t3-/m1/s1

> <INCHIKEY>
UQPHVQVXLPRNCX-GSVOUGTGSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1721313

> <CAS_REGISTRY_NUMBER>
496-55-9

> <KEGG_COMPOUND_ACCESSION>
C02022

$$$$