Ketcher 10202217572D 1   1.00000     0.00000     0

 16 16  0     0  0            999 V2000
   16.1753   -7.0692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1753   -6.0683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3075   -5.5713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3075   -4.5704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1753   -4.0664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1753   -3.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0433   -2.5686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4465   -6.0683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4465   -7.0692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3075   -7.5662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5785   -7.5662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5785   -8.5671    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.5785   -9.5681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5776   -8.5671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5794   -8.5671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5785   -5.5713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0     0  0
  1 10  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  3  8  2  0     0  0
  4  5  2  0     0  0
  5  6  1  4     0  0
  6  7  1  0     0  0
  8  9  1  0     0  0
  8 16  1  0     0  0
  9 10  2  0     0  0
  9 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 12 14  2  0     0  0
 12 15  2  0     0  0
M  END
> <ID>
CHEBI:194033

> <NAME>
[2-hydroxy-3-(3-hydroxyprop-1-en-1-yl)phenyl]oxidanesulfonic acid

> <STAR>
2

> <FORMULA>
C9H10O6S

> <MASS>
246.230

> <MONOISOTOPIC_MASS>
246.01981

> <CHARGE>
0

> <SMILES>
C1=CC(C=CCO)=C(C(=C1)OS(O)(=O)=O)O

> <INCHI>
InChI=1S/C9H10O6S/c10-6-2-4-7-3-1-5-8(9(7)11)15-16(12,13)14/h1-5,10-11H,6H2,(H,12,13,14)

> <INCHIKEY>
NSWQXFWOLRAIRR-UHFFFAOYSA-N

$$$$