CDK     1029232201

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.6578   -2.1582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3222   -1.4045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7347   -0.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5152   -1.2330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1827   -0.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9021   -1.7851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542    0.7301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0 
  2  3  1  0  0  0  0 
  2  4  1  0  0  0  0 
  3  5  1  0  0  0  0 
  4  6  2  0  0  0  0 
  4  7  1  0  0  0  0 
  5  8  1  0  0  0  0 
  6  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
  9 11  1  0  0  0  0 
  5  6  1  0  0  0  0 
M  END
> <ID>
CHEBI:203068

> <NAME>
5-hydroxy-3-methyl-4-(1-hydroxylethyl)-furan-2(5H)-one

> <STAR>
2

> <IUPAC_NAME>
2-hydroxy-3-(1-hydroxyethyl)-4-methyl-2H-uran-5-one

> <FORMULA>
C7H10O4

> <MASS>
158.153

> <MONOISOTOPIC_MASS>
158.05791

> <CHARGE>
0

> <SMILES>
O=C1OC(O)C(=C1C)C(O)C

> <INCHI>
InChI=1S/C7H10O4/c1-3-5(4(2)8)7(10)11-6(3)9/h4,7-8,10H,1-2H3

> <INCHIKEY>
CCRWBIHRXYJGSO-UHFFFAOYSA-N

$$$$