Mrv0541 10021415032D          

 22 24  0  0  0  0            999 V2000
   -3.2473   -8.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2484   -9.6482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5336  -10.0610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5354   -8.4080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8200   -8.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8166   -9.6456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1014  -10.0547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1082   -8.3977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3884   -8.8113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3859   -9.6357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3281  -10.0439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0402   -9.6290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0337   -8.8014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3191   -8.3969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1127   -7.5727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3130   -7.5719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5379   -7.5830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2536   -7.1727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9618   -8.4085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6762   -8.8211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7571  -10.0372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4691   -9.6205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  5  6  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
  2  3  1  0  0  0  0
 12 13  1  0  0  0  0
  3  6  2  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  1  2  2  0  0  0  0
  8 15  2  0  0  0  0
  5  8  1  0  0  0  0
 14 16  1  0  0  0  0
  6  7  1  0  0  0  0
  4 17  1  0  0  0  0
  7 10  1  0  0  0  0
 17 18  1  0  0  0  0
  9  8  1  0  0  0  0
  1 19  1  0  0  0  0
  5  4  2  0  0  0  0
 19 20  1  0  0  0  0
  4  1  1  0  0  0  0
 12 21  1  0  0  0  0
  9 10  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
> <ID>
CHEBI:65732

> <NAME>
decussatin

> <DEFINITION>
A member of the class of  xanthones that is xanthone substituted by a hydroxy group at position 1 and methoxy groups at positions 1, 2 and 6. It has been isolated from Centaurium erythraea and Gentiana verna.

> <STAR>
3

> <SYNONYM>
1-hydroxy-3,7,8-trimethoxyxanthone

> <IUPAC_NAME>
8-hydroxy-1,2,6-trimethoxy-9H-xanthen-9-one

> <FORMULA>
C16H14O6

> <MASS>
302.27880

> <MONOISOTOPIC_MASS>
302.07904

> <CHARGE>
0

> <SMILES>
COc1cc(O)c2c(c1)oc1ccc(OC)c(OC)c1c2=O

> <INCHI>
InChI=1S/C16H14O6/c1-19-8-6-9(17)13-12(7-8)22-10-4-5-11(20-2)16(21-3)14(10)15(13)18/h4-7,17H,1-3H3

> <INCHIKEY>
VYRIGRQQKUZPEX-UHFFFAOYSA-N

> <REAXYS_REGISTRY_NUMBER>
316855

> <PUBMED_CITATION>
1133711; 16286309; 4472648; 559754; 931752

$$$$