5488808
  CDK     0602212311

 20 22  0  0  0  0  0  0  0  0999 V2000
    5.0677   -1.3133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8637   -1.3324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4525    1.0903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0677    1.0629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2716    0.2900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7536   -0.1252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3817   -0.1252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7536   -0.9173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3817   -0.9173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0677    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4616    0.2983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6736    0.2983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4616   -1.3407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6736   -1.3407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1793   -0.9338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1793   -0.1087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9560   -0.1087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9560   -0.9338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5511   -0.9391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5841   -0.1034    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 15  1  0  0  0  0 
  2 19  1  0  0  0  0 
  3 11  1  0  0  0  0 
  4 10  2  0  0  0  0 
  5 17  1  0  0  0  0 
  5 20  1  0  0  0  0 
  6  8  1  0  0  0  0 
  6 10  1  0  0  0  0 
  6 11  2  0  0  0  0 
  7  9  2  0  0  0  0 
  7 10  1  0  0  0  0 
  7 12  1  0  0  0  0 
  8 13  2  0  0  0  0 
  9 14  1  0  0  0  0 
 11 16  1  0  0  0  0 
 12 17  2  0  0  0  0 
 13 15  1  0  0  0  0 
 14 18  2  0  0  0  0 
 15 16  2  0  0  0  0 
 17 18  1  0  0  0  0 
M  END
> <ID>
CHEBI:174570

> <NAME>
1-Hydroxy-3,7-dimethoxyxanthone

> <STAR>
2

> <IUPAC_NAME>
1-hydroxy-3,7-dimethoxyxanthen-9-one

> <FORMULA>
C15H12O5

> <MASS>
272.256

> <MONOISOTOPIC_MASS>
272.06847

> <CHARGE>
0

> <SMILES>
O1C=2C(C(=O)C3=C1C=CC(OC)=C3)=C(O)C=C(OC)C2

> <INCHI>
InChI=1S/C15H12O5/c1-18-8-3-4-12-10(5-8)15(17)14-11(16)6-9(19-2)7-13(14)20-12/h3-7,16H,1-2H3

> <INCHIKEY>
FWBPZAVSTQBRKT-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
13379-35-6

> <CHEMIDPLUS>
13379-35-6

$$$$