10011999
  CDK     1202211635

 10 10  0  0  0  0  0  0  0  0999 V2000
    4.2364   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0930   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2364    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -0.8250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5220    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2364    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6654   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0 
  1  8  1  0  0  0  0 
  2  6  1  0  0  0  0 
  3  7  2  0  0  0  0 
  4  5  1  0  0  0  0 
  4  6  1  1  0  0  0 
  5  7  1  0  0  0  0 
  7  9  1  0  0  0  0 
  8  9  2  0  0  0  0 
  8 10  1  0  0  0  0 
M  END
> <ID>
CHEBI:184477

> <NAME>
Erinapyrone B

> <STAR>
2

> <IUPAC_NAME>
(2R)-2-(hydroxymethyl)-6-methyl-2,3-dihydropyran-4-one

> <FORMULA>
C7H10O3

> <MASS>
142.154

> <MONOISOTOPIC_MASS>
142.06299

> <CHARGE>
0

> <SMILES>
O1[C@H](CC(=O)C=C1C)CO

> <INCHI>
InChI=1S/C7H10O3/c1-5-2-6(9)3-7(4-8)10-5/h2,7-8H,3-4H2,1H3/t7-/m1/s1

> <INCHIKEY>
ULVSURGNEAHOBK-SSDOTTSWSA-N

$$$$