CDK     1029232203

 14 15  0  0  0  0  0  0  0  0999 V2000
    5.3878    0.4912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7747   -0.0609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9677    0.1106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8609   -0.8814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5552   -0.6038    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1073   -1.2169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7347   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1827   -0.0770    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
    1.4290   -0.4125    0.0000 C   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
    0.7145    0.0000    0.0000 C   0  0  2  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 
  5  3  1  0  0  0  0 
  4  6  1  0  0  0  0 
  5  7  1  1  0  0  0 
  7  8  1  0  0  0  0 
  7  9  2  0  0  0  0 
  8 10  1  0  0  0  0 
  9 11  1  0  0  0  0 
 12 10  1  0  0  0  0 
 12 13  1  1  0  0  0 
 12 14  1  0  0  0  0 
  5  6  1  0  0  0  0 
 10 11  2  0  0  0  0 
M  END
> <ID>
CHEBI:205007

> <NAME>
5-[5-(1-Hydroxyethyl)furan-2-yl]dihydrofuran-2(3H)-one

> <STAR>
2

> <IUPAC_NAME>
(5S)-5-[5-[(1R)-1-hydroxyethyl]uran-2-yl]oxolan-2-one

> <FORMULA>
C10H12O4

> <MASS>
196.202

> <MONOISOTOPIC_MASS>
196.07356

> <CHARGE>
0

> <SMILES>
O=C1O[C@H](C=2OC([C@H](O)C)=CC2)CC1

> <INCHI>
InChI=1S/C10H12O4/c1-6(11)7-2-3-8(13-7)9-4-5-10(12)14-9/h2-3,6,9,11H,4-5H2,1H3/t6-,9+/m1/s1

> <INCHIKEY>
APBQCQCZDOLYQU-MUWHJKNJSA-N

$$$$