Ketcher 03011615482D 1   1.00000     0.00000     0

  7  6  0     0  0            999 V2000
   16.2456   -4.5601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6475   -4.0601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2456   -2.5601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3795   -4.0601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5135   -4.5601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3795   -3.0602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5135   -5.5601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0     0  0
  2  5  1  0     0  0
  3  6  1  0     0  0
  4  5  1  0     0  0
  4  6  1  0     0  0
  5  7  1  0     0  0
M  END
> <ID>
CHEBI:131388

> <NAME>
1,2,3-butanetriol

> <DEFINITION>
A triol that is butane carrying three hydroxy substituents at position 1, 2 and 3.

> <STAR>
3

> <SYNONYM>
1,2,3-trihydroxybutane

> <IUPAC_NAME>
butane-1,2,3-triol

> <FORMULA>
C4H10O3

> <MASS>
106.121

> <MONOISOTOPIC_MASS>
106.06299

> <CHARGE>
0

> <SMILES>
OC(C(O)C)CO

> <INCHI>
InChI=1S/C4H10O3/c1-3(6)4(7)2-5/h3-7H,2H2,1H3

> <INCHIKEY>
YAXKTBLXMTYWDQ-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
4435-50-1

> <REAXYS_REGISTRY_NUMBER>
1633470

> <CHEMIDPLUS>
4435-50-1

> <NIST_CHEMISTRY_WEBBOOK>
4435-50-1

> <PUBMED_CITATION>
10788314; 23727864; 28520403; 3769520

$$$$