Marvin  10310723422D          

  5  4  0  0  1  0            999 V2000
    0.3572   -0.2063    0.0000 C   0  0  1  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
   -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
    0.3572   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  6  0  0  0
  2  1  1  0  0  0  0
  1  3  1  0  0  0  0
  4  3  1  0  0  0  0
M  END
> <ID>
CHEBI:28972

> <NAME>
(R)-propane-1,2-diol

> <STAR>
3

> <SECONDARY_ID>
CHEBI:44863; CHEBI:352; CHEBI:18705

> <SYNONYM>
R-1,2-PROPANEDIOL; (R)-Propylene glycol; (R)-propane-1,2-diol; (R)-Propane-1,2-diol; (R)-propane-1,2-diol; (R)-1,2-Propanediol

> <IUPAC_NAME>
(2R)-propane-1,2-diol

> <FORMULA>
C3H8O2

> <MASS>
76.09442

> <MONOISOTOPIC_MASS>
76.05243

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m1/s1

> <INCHIKEY>
DNIAPMSPPWPWGF-GSVOUGTGSA-N

> <CAS_REGISTRY_NUMBER>
4254-14-2

> <DRUGBANK_ACCESSION>
DB02159

> <KEGG_COMPOUND_ACCESSION>
C02912

> <PDBECHEM_ACCESSION>
PGR

$$$$