14777481
  CDK     0602212312

 26 28  0  0  0  0  0  0  0  0999 V2000
    3.8492   -0.7450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7614   -0.7650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2915    1.7584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8492    1.7298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4069   -1.5985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4069    1.7584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5637    0.4924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0486    0.5096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5637   -0.3325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3011    0.9335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1348    0.4924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8492    0.9049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0486   -0.3497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7614    0.9248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1348   -0.3325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3011   -0.7736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3974    0.9335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3974   -0.7736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4774    0.5151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499    0.5096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499   -0.3497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1902    0.9303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9062    0.5206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1870    1.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7582   -1.5898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6972   -2.0192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0 
  1 15  1  0  0  0  0 
  2 13  1  0  0  0  0 
  2 25  1  0  0  0  0 
  3 10  1  0  0  0  0 
  4 12  2  0  0  0  0 
  5 18  1  0  0  0  0 
  5 26  1  0  0  0  0 
  6 17  1  0  0  0  0 
  7  9  1  0  0  0  0 
  7 10  2  0  0  0  0 
  7 12  1  0  0  0  0 
  8 10  1  0  0  0  0 
  8 13  2  0  0  0  0 
  8 14  1  0  0  0  0 
  9 16  2  0  0  0  0 
 11 12  1  0  0  0  0 
 11 15  1  0  0  0  0 
 11 17  2  0  0  0  0 
 13 16  1  0  0  0  0 
 14 19  1  0  0  0  0 
 15 18  2  0  0  0  0 
 17 20  1  0  0  0  0 
 18 21  1  0  0  0  0 
 19 22  2  0  0  0  0 
 20 21  2  0  0  0  0 
 22 23  1  0  0  0  0 
 22 24  1  0  0  0  0 
M  END
> <ID>
CHEBI:175576

> <NAME>
1,8-Dihydroxy-3,5-dimethoxy-2-prenylxanthone

> <STAR>
2

> <IUPAC_NAME>
1,8-dihydroxy-3,5-dimethoxy-2-(3-methylbut-2-enyl)xanthen-9-one

> <FORMULA>
C20H20O6

> <MASS>
356.374

> <MONOISOTOPIC_MASS>
356.12599

> <CHARGE>
0

> <SMILES>
O1C=2C(=C(O)C(=C(OC)C2)CC=C(C)C)C(=O)C=3C1=C(OC)C=CC3O

> <INCHI>
InChI=1S/C20H20O6/c1-10(2)5-6-11-14(25-4)9-15-17(18(11)22)19(23)16-12(21)7-8-13(24-3)20(16)26-15/h5,7-9,21-22H,6H2,1-4H3

> <INCHIKEY>
GRYVOCRJTSCVJS-UHFFFAOYSA-N

$$$$