14048613
  CDK     1019211303

 22 23  0  0  0  0  0  0  0  0999 V2000
    3.5219   -0.7466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9508   -0.7466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5219   -3.2216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0929   -2.3966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9508   -2.3966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0929    0.0784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5232    2.9659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5219   -2.3966    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8075   -1.9841    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2364   -1.9841    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8075   -1.1591    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2364   -1.1591    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0929   -0.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9508    0.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6654    0.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6654    1.3159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3798    1.7284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3798    2.5534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0943    1.3159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0943    2.9659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8087    1.7284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8087    2.5534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0 
  1 12  1  0  0  0  0 
 12  2  1  1  0  0  0 
  2 14  1  0  0  0  0 
  8  3  1  1  0  0  0 
  9  4  1  6  0  0  0 
 10  5  1  6  0  0  0 
  6 13  1  0  0  0  0 
  7 22  1  0  0  0  0 
  8  9  1  0  0  0  0 
  8 10  1  0  0  0  0 
  9 11  1  0  0  0  0 
 10 12  1  0  0  0  0 
 11 13  1  1  0  0  0 
 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 17  1  0  0  0  0 
 17 18  2  0  0  0  0 
 17 19  1  0  0  0  0 
 18 20  1  0  0  0  0 
 19 21  2  0  0  0  0 
 20 22  2  0  0  0  0 
 21 22  1  0  0  0  0 
M  END
> <ID>
CHEBI:181987

> <NAME>
Sachaliside

> <STAR>
2

> <IUPAC_NAME>
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-3-(4-hydroxyphenyl)prop-2-enoxy]oxane-3,4,5-triol

> <FORMULA>
C15H20O7

> <MASS>
312.318

> <MONOISOTOPIC_MASS>
312.12090

> <CHARGE>
0

> <SMILES>
O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC/C=C/C2=CC=C(O)C=C2)CO

> <INCHI>
InChI=1S/C15H20O7/c16-8-11-12(18)13(19)14(20)15(22-11)21-7-1-2-9-3-5-10(17)6-4-9/h1-6,11-20H,7-8H2/b2-1+/t11-,12-,13+,14-,15-/m1/s1

> <INCHIKEY>
CNNXMGXBAZQZDE-HHMSBIESSA-N

> <CAS_REGISTRY_NUMBER>
132294-76-9

> <CHEMIDPLUS>
132294-76-9

$$$$