CDK     1030232201

 14 14  0  0  0  0  0  0  0  0999 V2000
    5.4691   -1.2713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9842   -0.6038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3197    0.1499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1637   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8349    0.8173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6116   -0.0770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7512   -1.4045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9442   -1.2330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1435    0.0000    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
    2.1435    0.8250    0.0000 C   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
    0.0000   -0.4125    0.0000 O   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  1  0  0  0  0 
  4  7  2  0  0  0  0 
  6  8  1  0  0  0  0 
  7  9  1  0  0  0  0 
  8 10  1  0  0  0  0 
 10 11  2  0  0  0  0 
 10 12  1  0  0  0  0 
 11 13  1  0  0  0  0 
 13 14  1  0  0  0  0 
  8  9  2  0  0  0  0 
M  END
> <ID>
CHEBI:213814

> <NAME>
Asperfuran A

> <STAR>
2

> <IUPAC_NAME>
methyl 5-[(E)-4-hydroxybut-2-en-2-yl]uran-2-carboxylate

> <FORMULA>
C10H12O4

> <MASS>
196.202

> <MONOISOTOPIC_MASS>
196.07356

> <CHARGE>
0

> <SMILES>
O=C(OC)C=1OC(/C(=C/CO)/C)=CC1

> <INCHI>
InChI=1S/C10H12O4/c1-7(5-6-11)8-3-4-9(14-8)10(12)13-2/h3-5,11H,6H2,1-2H3/b7-5+

> <INCHIKEY>
XYNGOGUZBXETOQ-FNORWQNLSA-N

$$$$