Ketcher 02061815072D 1   1.00000     0.00000     0

  7  6  0     0  0            999 V2000
   18.4089   -7.5040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4992   -6.9789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3184   -6.9789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4992   -5.9286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9341   -8.4134    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.8837   -8.4135    0.0000 R#  0  0  0  0  0  0  0  0  0  0  0  0
   16.6332   -7.4789    0.0000 R#  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0     0  0
  3  1  1  0     0  0
  4  2  2  0     0  0
  5  1  1  0     0  0
  6  1  1  0     0  0
  2  7  1  0     0  0
M  RGP  2   6   2   7   1
M  END
> <ID>
CHEBI:2468

> <NAME>
secondary alpha-hydroxy ketone

> <DEFINITION>
An α-hydroxy ketone in which the carbonyl group and the hydroxy group are linked by a carbon bearing one hydrogen and one organyl group. Secondary α-hydroxy ketones are also known as acyloins, and are formally derived from reductive coupling of two carboxylic acid groups.

> <STAR>
3

> <SYNONYM>
secondary alpha-hydroxyketones; secondary alpha-hydroxyketone; secondary alpha-hydroxy-ketones; secondary alpha-hydroxy-ketone; secondary alpha-hydroxy ketones; acyloins; acyloin

> <FORMULA>
C2H2O2R2

> <MASS>
58.036

> <MONOISOTOPIC_MASS>
58.00548

> <CHARGE>
0

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

> <WIKIPEDIA_ACCESSION>
Acyloin

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