1115
  CDK     1019221600

 23 24  0  0  0  0  0  0  0  0999 V2000
    4.8405    0.6028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6655   -0.2223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365   -0.2223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7050    1.6423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2530    2.6973    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6655   -1.8723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365   -2.6973    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -1.8723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0632    0.8998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6293    2.4493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0930   -0.6348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6655    0.6028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9204    1.3874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2530    1.8723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5855    1.3874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509   -0.6348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509   -1.4598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365   -1.8723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -1.4598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -0.6348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4501    0.3478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8009    1.6423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -0.2223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0 
  1 15  1  0  0  0  0 
  2 12  1  0  0  0  0 
  2 16  1  0  0  0  0 
  3 16  1  0  0  0  0 
  3 20  1  0  0  0  0 
  4 13  1  0  0  0  0 
  5 14  1  0  0  0  0 
  6 17  1  0  0  0  0 
  7 18  1  0  0  0  0 
  8 19  1  0  0  0  0 
  9 21  1  0  0  0  0 
 10 22  1  0  0  0  0 
 11 23  1  0  0  0  0 
 12 13  1  0  0  0  0 
 12 21  1  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  1  0  0  0  0 
 15 22  1  0  0  0  0 
 16 17  1  0  0  0  0 
 17 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 23  1  0  0  0  0 
M  END
> <ID>
CHEBI:193884

> <NAME>
2-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

> <STAR>
2

> <IUPAC_NAME>
2-[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

> <FORMULA>
C12H22O11

> <MASS>
342.297

> <MONOISOTOPIC_MASS>
342.11621

> <CHARGE>
0

> <SMILES>
O1C(OC2OC(C(O)C(O)C2O)CO)(C(O)C(O)C1CO)CO

> <INCHI>
InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2

> <INCHIKEY>
CZMRCDWAGMRECN-UHFFFAOYSA-N

$$$$