Marvin  01180609142D          

  3  2  0  0  0  0            999 V2000
   -0.4125    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  3  1  0  0  0  0
M  ISO  1   3   2
M  END
> <ID>
CHEBI:33806

> <NAME>
deuterium hydrogen oxide

> <STAR>
3

> <SYNONYM>
water-d1; semiheavy water; HDO; halbschweres Wasser; H(2)HO; [ODH]; ((2)H1)water

> <IUPAC_NAME>
deuterium hydrogen oxide

> <FORMULA>
HDO

> <MASS>
19.021

> <MONOISOTOPIC_MASS>
19.01684

> <CHARGE>
0

> <SMILES>
[H]O[2H]

> <INCHI>
InChI=1S/H2O/h1H2/i/hD

> <INCHIKEY>
XLYOFNOQVPJJNP-DYCDLGHISA-N

> <CAS_REGISTRY_NUMBER>
14940-63-7

> <GMELIN_REGISTRY_NUMBER>
115

> <MOLBASE_ACCESSION>
1649

> <NIST_CHEMISTRY_WEBBOOK>
14940-63-7

$$$$