Marvin  01211112152D          

  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  END
> <ID>
CHEBI:15377

> <NAME>
water

> <DEFINITION>
An oxygen hydride consisting of an oxygen atom that is covalently bonded to two hydrogen atoms

> <STAR>
3

> <SECONDARY_ID>
CHEBI:5585; CHEBI:42857; CHEBI:42043; CHEBI:44292; CHEBI:44819; CHEBI:43228; CHEBI:44701; CHEBI:10743; CHEBI:13352; CHEBI:27313

> <SYNONYM>
Water; WATER; Wasser; hydrogen hydroxide; HOH; H(2)O; H2O; eau; dihydrogen oxide; dihydridooxygen; BOUND WATER; aqua; agua; acqua; [OH2]

> <IUPAC_NAME>
water; oxidane

> <FORMULA>
H2O

> <MASS>
18.01530

> <MONOISOTOPIC_MASS>
18.01056

> <CHARGE>
0

> <SMILES>
[H]O[H]

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

> <INCHIKEY>
XLYOFNOQVPJJNP-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
3587155

> <CAS_REGISTRY_NUMBER>
7732-18-5

> <GMELIN_REGISTRY_NUMBER>
117

> <REAXYS_REGISTRY_NUMBER>
3587155

> <CHEMIDPLUS>
7732-18-5

> <KEGG_COMPOUND_ACCESSION>
C00001

> <KEGG_DRUG_ACCESSION>
D00001

> <METACYC_ACCESSION>
WATER

> <MOLBASE_ACCESSION>
1

> <NIST_CHEMISTRY_WEBBOOK>
7732-18-5

> <PDBECHEM_ACCESSION>
HOH

> <WIKIPEDIA_ACCESSION>
Water

$$$$