20333861
  CDK     0602212310

  9  9  0  0  0  0  0  0  0  0999 V2000
    3.2735   -0.9136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3761    1.0233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1710    1.0233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6061   -0.4287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8215   -0.6837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9410   -0.4287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8610    0.3559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6860    0.3559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.4906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0 
  1  6  1  0  0  0  0 
  2  7  1  0  0  0  0 
  3  8  2  0  0  0  0 
  4  5  1  0  0  0  0 
  4  7  2  0  0  0  0 
  5  9  1  0  0  0  0 
  6  8  1  0  0  0  0 
  7  8  1  0  0  0  0 
M  END
> <ID>
CHEBI:173476

> <NAME>
2-Ethyl-3,4-dihydroxyfuran

> <STAR>
2

> <IUPAC_NAME>
5-ethyl-4-hydroxyuran-3-one

> <FORMULA>
C6H8O3

> <MASS>
128.127

> <MONOISOTOPIC_MASS>
128.04734

> <CHARGE>
0

> <SMILES>
O1C(CC)=C(O)C(=O)C1

> <INCHI>
InChI=1S/C6H8O3/c1-2-5-6(8)4(7)3-9-5/h8H,2-3H2,1H3

> <INCHIKEY>
GYLJADLTHUFDRR-UHFFFAOYSA-N

$$$$