10088741
  CDK     0602212312

 25 28  0  0  0  0  0  0  0  0999 V2000
    4.3080   -0.6485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3183   -1.6301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3183   -2.9579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7997    2.3653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1587    2.5378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6405   -1.8045    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0885   -1.1914    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3942   -1.4690    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5010   -0.4769    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4690   -2.6115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2680   -1.2777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1086   -1.8815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1654    0.2767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8232   -1.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1086   -2.7065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6503    0.9441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3449    0.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5376   -1.8815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8232   -3.1190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5376   -2.7065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3148    1.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0094    1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4943    1.7841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7997   -2.2940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641    3.1190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0 
  1  9  1  0  0  0  0 
  2 18  1  0  0  0  0 
  2 24  1  0  0  0  0 
  3 20  1  0  0  0  0 
  3 24  1  0  0  0  0 
  4 21  1  0  0  0  0 
  4 25  1  0  0  0  0 
  5 23  1  0  0  0  0 
  6  7  1  0  0  0  0 
  6  8  1  0  0  0  0 
  6 10  1  1  0  0  0 
  7  9  1  0  0  0  0 
  7 11  1  6  0  0  0 
  8 12  1  6  0  0  0 
  9 13  1  6  0  0  0 
 12 14  2  0  0  0  0 
 12 15  1  0  0  0  0 
 13 16  2  0  0  0  0 
 13 17  1  0  0  0  0 
 14 18  1  0  0  0  0 
 15 19  2  0  0  0  0 
 16 21  1  0  0  0  0 
 17 22  2  0  0  0  0 
 18 20  2  0  0  0  0 
 19 20  1  0  0  0  0 
 21 23  2  0  0  0  0 
 22 23  1  0  0  0  0 
M  END
> <ID>
CHEBI:175347

> <NAME>
Austrobailignan 7

> <STAR>
2

> <IUPAC_NAME>
4-[(2R,3S,4S,5S)-5-(1,3-benzodioxol-5-yl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol

> <FORMULA>
C20H22O5

> <MASS>
342.391

> <MONOISOTOPIC_MASS>
342.14672

> <CHARGE>
0

> <SMILES>
O1[C@@H]([C@H]([C@@H]([C@@H]1C2=CC(OC)=C(O)C=C2)C)C)C3=CC=4OCOC4C=C3

> <INCHI>
InChI=1S/C20H22O5/c1-11-12(2)20(14-5-7-16-18(9-14)24-10-23-16)25-19(11)13-4-6-15(21)17(8-13)22-3/h4-9,11-12,19-21H,10H2,1-3H3/t11-,12-,19+,20-/m0/s1

> <INCHIKEY>
JPDORDSJPIKURD-UAFHBQARSA-N

$$$$