Marvin  09260523232D          

  7  6  0  0  0  0            999 V2000
   -0.0000   -0.4375    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.3875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.8000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.6750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.4375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
> <ID>
CHEBI:33118

> <NAME>
boric acid

> <STAR>
3

> <SECONDARY_ID>
CHEBI:41248; CHEBI:22911; CHEBI:31299

> <SYNONYM>
orthoboric acid; H3BO3; boron trihydroxide; BORIC ACID; boric acid; Boric acid; B(OH)3; [B(OH)3]

> <IUPAC_NAME>
trihydroxidoboron

> <FORMULA>
BH3O3

> <MASS>
61.83302

> <MONOISOTOPIC_MASS>
62.01752

> <CHARGE>
0

> <SMILES>
[H]OB(O[H])O[H]

> <INCHI>
InChI=1S/BH3O3/c2-1(3)4/h2-4H

> <INCHIKEY>
KGBXLFKZBHKPEV-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
10043-35-3

> <GMELIN_REGISTRY_NUMBER>
1585

> <CHEMIDPLUS>
11113-50-1

> <KEGG_COMPOUND_ACCESSION>
C12486

> <KEGG_DRUG_ACCESSION>
D01089

> <MOLBASE_ACCESSION>
1644

> <NIST_CHEMISTRY_WEBBOOK>
10043-35-3

> <PDBECHEM_ACCESSION>
BO3

$$$$