CDK     1028232200

 20 21  0  0  0  0  0  0  0  0999 V2000
    1.4290    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2375    0.0000 C   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
   -0.7144    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7144    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4290    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7144    2.4750    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
    0.7144   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7144   -1.6500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4290    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4290   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7144   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.6500    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  2  0  0  0  0 
  4  7  1  0  0  0  0 
  5  8  1  0  0  0  0 
  5  9  1  0  0  0  0 
  6 10  1  0  0  0  0 
  7 11  2  0  0  0  0 
  8 12  1  0  0  0  0 
  9 13  1  0  0  0  0 
 14  9  1  0  0  0  0 
 10 15  2  0  0  0  0 
 12 16  1  0  0  0  0 
 12 17  1  0  0  0  0 
 14 18  1  1  0  0  0 
 15 19  1  0  0  0  0 
 16 20  1  0  0  0  0 
 11 15  1  0  0  0  0 
 14 16  1  0  0  0  0 
M  END
> <ID>
CHEBI:197901

> <NAME>
4-Hydroxybenzoyl 6-Deoxy-alpha-L-talopyranoside

> <STAR>
2

> <IUPAC_NAME>
[(4S)-3,4,5-trihydroxy-6-methyloxan-2-yl] 4-hydroxybenzoate

> <FORMULA>
C13H16O7

> <MASS>
284.264

> <MONOISOTOPIC_MASS>
284.08960

> <CHARGE>
0

> <SMILES>
O=C(OC1OC(C(O)[C@@H](C1O)O)C)C2=CC=C(O)C=C2

> <INCHI>
InChI=1S/C13H16O7/c1-6-9(15)10(16)11(17)13(19-6)20-12(18)7-2-4-8(14)5-3-7/h2-6,9-11,13-17H,1H3/t6?,9?,10-,11?,13?/m0/s1

> <INCHIKEY>
GDBUPEWJRQHTCI-KQGNXINPSA-N

$$$$