CDK     1018121545

 26 29  0  0  0  0  0  0  0  0999 V2000
    9.8958    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1833    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6125    0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3458   -0.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7500    0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5000   -0.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0667   -0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6417   -0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4667    0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7708   -0.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5208    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7542   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9667    0.5792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2792   -0.8167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9708   -0.7583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3125    0.5167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7792   -0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4833   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1875   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8917    1.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3250   -1.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0833    0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4667   -0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8042    0.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3167    0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3000    1.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0 
  3  1  1  0  0  0  0 
  4  8  1  0  0  0  0 
  5  9  1  0  0  0  0 
  6 10  2  0  0  0  0 
  7  4  1  0  0  0  0 
  8  3  1  0  0  0  0 
  9  2  2  0  0  0  0 
 10  7  1  0  0  0  0 
 11 24  2  0  0  0  0 
 12  5  2  0  0  0  0 
 13  5  1  0  0  0  0 
 14  6  1  0  0  0  0 
 15 12  1  0  0  0  0 
 16 11  1  0  0  0  0 
 17 14  1  0  0  0  0 
 18 13  1  0  0  0  0 
 19  2  1  0  0  0  0 
 20  1  2  0  0  0  0 
 21  4  2  0  0  0  0 
 22  7  2  0  0  0  0 
 23 19  2  0  0  0  0 
 24 22  1  0  0  0  0 
 25  3  1  0  0  0  0 
 26 25  1  0  0  0  0 
 23 12  1  0  0  0  0 
 15 18  1  0  0  0  0 
  6 11  1  0  0  0  0 
 16 17  1  0  0  0  0 
M  END
> <ID>
CHEBI:70491

> <NAME>
Justiflorinol

> <DEFINITION>
A natural product found in Piper sanguineispicum. 

> <STAR>
2

> <SYNONYM>
1,4-bis(1,3-benzodioxol-5-yl)-2-(hydroxymethyl)butane-1,4-dione

> <FORMULA>
C19H16O7

> <MASS>
356.32610

> <MONOISOTOPIC_MASS>
356.08960

> <CHARGE>
0

> <SMILES>
OCC(CC(=O)c1ccc2OCOc2c1)C(=O)c1ccc2OCOc2c1

> <INCHI>
InChI=1S/C19H16O7/c20-8-13(19(22)12-2-4-16-18(7-12)26-10-24-16)5-14(21)11-1-3-15-17(6-11)25-9-23-15/h1-4,6-7,13,20H,5,8-10H2

> <INCHIKEY>
YNDXXIPMXGSUGT-UHFFFAOYSA-N

> <PUBMED_CITATION>
20954722

$$$$