Marvin  01170609242D          

  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   1   3   1
M  END
> <ID>
CHEBI:29375

> <NAME>
diprotium oxide

> <STAR>
3

> <SYNONYM>
((1)H2)water

> <IUPAC_NAME>
diprotium oxide

> <FORMULA>
[1H]2O

> <MASS>
18.015

> <MONOISOTOPIC_MASS>
18.01056

> <CHARGE>
0

> <SMILES>
[1H]O[1H]

> <INCHI>
InChI=1S/H2O/h1H2/i/hH2

> <INCHIKEY>
XLYOFNOQVPJJNP-YOGHCVPTSA-N

> <CAS_REGISTRY_NUMBER>
7732-18-5

> <NIST_CHEMISTRY_WEBBOOK>
7732-18-5

$$$$