Oblongaroside B
  -molcms-06132609272D

 30 31  0  0  1  0  0  0  0  0999 V2000
   -0.8660    1.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.7321    1.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.7321    0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.5981   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8660   -0.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8660   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8660   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7321    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7321   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3301   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3301   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9282    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7942   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6603    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5263   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6603    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5263    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7942    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9282    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8660    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  1  0  0  0
  3  5  1  0  0  0  0
  5  6  1  6  0  0  0
  5  7  1  0  0  0  0
  7  8  1  1  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 19  1  0  0  0  0
  7 27  1  0  0  0  0
 27  1  1  0  0  0  0
  2 28  1  6  0  0  0
  1 29  1  1  0  0  0
 29 30  1  0  0  0  0
M  END
>  <ProductName>
Oblongaroside B

>  <CASNumber>
1000889-11-1

>  <MolecularFormula>
C20H26O10

>  <MDLNo>


>  <MolWt>
426.41

>  <BoilingPoint>


>  <MeltingPoint>


>  <MolFile>


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

$$$$
