Marvin  01170609232D          

  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  2   1   2   3   2
M  END
> <ID>
CHEBI:41981

> <NAME>
dideuterium oxide

> <STAR>
3

> <SECONDARY_ID>
CHEBI:41979; CHEBI:29373

> <SYNONYM>
schweres Wasser; heavy water; Deuteriumoxid; deuterium oxide; DEUTERATED WATER; D2O; [OD2]; ((2)H2)water

> <IUPAC_NAME>
dideuterium oxide

> <FORMULA>
D2O

> <MASS>
20.027

> <MONOISOTOPIC_MASS>
20.02312

> <CHARGE>
0

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

> <INCHI>
InChI=1S/H2O/h1H2/i/hD2

> <INCHIKEY>
XLYOFNOQVPJJNP-ZSJDYOACSA-N

> <CAS_REGISTRY_NUMBER>
7789-20-0

> <GMELIN_REGISTRY_NUMBER>
97

> <CHEMIDPLUS>
7789-20-0

> <MOLBASE_ACCESSION>
1647

> <NIST_CHEMISTRY_WEBBOOK>
7789-20-0

> <PDBECHEM_ACCESSION>
DOD

$$$$