131836659
  CDK     0930221742

 24 26  0  0  0  0  0  0  0  0999 V2000
    8.5787   -1.8731    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.0063    0.1894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4352    1.8394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5638    2.6930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0939    0.1695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5787   -1.0481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5787   -2.6981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4037   -1.8731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7537   -1.8731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7208    1.4269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7208    0.6019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0063    1.8394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2918    1.4269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4352    0.1894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2918    0.6019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5543    1.8680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5543    0.1608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1497    0.6019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4352   -0.6356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8068    1.4441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8068    0.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8641    0.1894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1497   -1.0481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8641   -0.6356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0 
  1  7  1  0  0  0  0 
  1  8  2  0  0  0  0 
  1  9  2  0  0  0  0 
  2 11  1  0  0  0  0 
  2 15  1  0  0  0  0 
  3 10  1  0  0  0  0 
  4 16  1  0  0  0  0 
  5 21  1  0  0  0  0 
  6 24  1  0  0  0  0 
 10 11  1  0  0  0  0 
 10 12  1  0  0  0  0 
 11 14  1  0  0  0  0 
 12 13  1  0  0  0  0 
 13 15  1  0  0  0  0 
 13 16  2  0  0  0  0 
 14 18  2  0  0  0  0 
 14 19  1  0  0  0  0 
 15 17  2  0  0  0  0 
 16 20  1  0  0  0  0 
 17 21  1  0  0  0  0 
 18 22  1  0  0  0  0 
 19 23  2  0  0  0  0 
 20 21  2  0  0  0  0 
 22 24  2  0  0  0  0 
 23 24  1  0  0  0  0 
M  END
> <ID>
CHEBI:193475

> <NAME>
[4-(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)phenyl]oxidanesulfonic acid

> <STAR>
2

> <IUPAC_NAME>
[4-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)phenyl] hydrogen sulate

> <FORMULA>
C15H14O8S

> <MASS>
354.330

> <MONOISOTOPIC_MASS>
354.04094

> <CHARGE>
0

> <SMILES>
S(OC1=CC=C(C2OC=3C(CC2O)=C(O)C=C(O)C3)C=C1)(O)(=O)=O

> <INCHI>
InChI=1S/C15H14O8S/c16-9-5-12(17)11-7-13(18)15(22-14(11)6-9)8-1-3-10(4-2-8)23-24(19,20)21/h1-6,13,15-18H,7H2,(H,19,20,21)

> <INCHIKEY>
GMDFXMLCKGSSSL-UHFFFAOYSA-N

$$$$