Ketcher 02061812302D 1   1.00000     0.00000     0

  7  6  0     0  0            999 V2000
   15.7953   -7.1447    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
   17.5275   -7.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6613   -6.6447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3934   -6.6447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6613   -5.6447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0275   -8.0106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0274   -8.0107    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0     0  0
  3  2  1  0     0  0
  4  2  1  0     0  0
  5  3  2  0     0  0
  6  2  1  0     0  0
  7  2  1  0     0  0
M  END
> <ID>
CHEBI:139590

> <NAME>
primary alpha-hydroxy ketone

> <DEFINITION>
An α-hydroxy ketone in which the carbonyl group and the hydroxy group are linked by a -CH2 (methylene) group.

> <STAR>
3

> <SYNONYM>
primary alpha-hydroxyketones; primary alpha-hydroxyketone; primary alpha-hydroxy-ketones; primary alpha-hydroxy-ketone; primary alpha-hydroxy ketones

> <FORMULA>
C2H3O2R

> <MASS>
59.044

> <MONOISOTOPIC_MASS>
59.01330

> <CHARGE>
0

> <SMILES>
*C(C(O)([H])[H])=O

$$$$