mitolactol
  CDK     0223171736
null
 12 11  0  0  0  0  0  0  0  0999 V2000
   -0.3585   -1.5630    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3564   -1.9747    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0734   -1.9747    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3585   -0.7374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0713   -1.5630    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3564   -2.8002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7883   -1.5630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0734   -2.8002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862   -1.9747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0713   -0.7374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5032   -1.9747    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.5032   -1.5630    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0 
  1  3  1  0  0  0  0 
  1  4  1  1  0  0  0 
  5  2  1  0  0  0  0 
  2  6  1  6  0  0  0 
  3  7  1  0  0  0  0 
  3  8  1  1  0  0  0 
  5  9  1  0  0  0  0 
  5 10  1  6  0  0  0 
  7 11  1  0  0  0  0 
  9 12  1  0  0  0  0 
M  END
> <ID>
CHEBI:135311

> <NAME>
mitolactol

> <STAR>
2

> <SYNONYM>
elobromol; dibromogalactitol; dibromodulcitol; dibromdulcit

> <FORMULA>
C6H12Br2O4

> <MASS>
307.964

> <MONOISOTOPIC_MASS>
305.91024

> <CHARGE>
0

> <SMILES>
[C@H]([C@H]([C@@H](CBr)O)O)([C@H](CBr)O)O

> <INCHI>
InChI=1S/C6H12Br2O4/c7-1-3(9)5(11)6(12)4(10)2-8/h3-6,9-12H,1-2H2/t3-,4+,5+,6-

> <INCHIKEY>
VFKZTMPDYBFSTM-GUCUJZIJSA-N

> <CAS_REGISTRY_NUMBER>
10318-26-0

$$$$