Mrv0541 10031415252D          

 21 23  0  0  0  0            999 V2000
   14.8273  -15.6631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1153  -15.2495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4048  -15.6610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8326  -16.4861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4048  -16.4916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1170  -16.9053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5358  -15.2480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6942  -15.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5425  -16.8960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6830  -16.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2516  -15.6595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1136  -14.4245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9766  -15.6573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2531  -16.4845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9688  -16.4829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5343  -14.4229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9688  -16.8959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2505  -16.8891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6983  -14.4182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2449  -17.7183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9704  -17.7211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  2  0  0  0  0
  5  3  2  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8  3  1  0  0  0  0
  9  4  1  0  0  0  0
 10  5  1  0  0  0  0
 11  7  2  0  0  0  0
 12  2  2  0  0  0  0
 13  8  2  0  0  0  0
 14 11  1  0  0  0  0
 15 13  1  0  0  0  0
 16  7  1  0  0  0  0
 17 14  1  0  0  0  0
 18 15  1  0  0  0  0
 19  8  1  0  0  0  0
 20 18  1  0  0  0  0
 21 17  1  0  0  0  0
  6  5  1  0  0  0  0
  9 14  2  0  0  0  0
 15 10  2  0  0  0  0
M  END
> <ID>
CHEBI:67821

> <NAME>
lichexanthone

> <DEFINITION>
A member of the class of  xanthones that is 9H-xanthen-9-one substituted by a hydroxy group at position 1, a methyl group at position 8 and methoxy groups at positions 3 and 6. It has been isolated from the bark of Cupania cinerea.

> <STAR>
3

> <SYNONYM>
1-hydroxy-3,6-dimethoxy-8-methylxanthen-9-one

> <IUPAC_NAME>
1-hydroxy-3,6-dimethoxy-8-methyl-9H-xanthen-9-one

> <FORMULA>
C16H14O5

> <MASS>
286.27940

> <MONOISOTOPIC_MASS>
286.08412

> <CHARGE>
0

> <SMILES>
COc1cc(C)c2c(c1)oc1cc(OC)cc(O)c1c2=O

> <INCHI>
InChI=1S/C16H14O5/c1-8-4-9(19-2)6-12-14(8)16(18)15-11(17)5-10(20-3)7-13(15)21-12/h4-7,17H,1-3H3

> <INCHIKEY>
QDLAGTHXVHQKRE-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
15222-53-4

> <REAXYS_REGISTRY_NUMBER>
274869

> <CHEMIDPLUS>
15222-53-4

> <KNAPSACK_ACCESSION>
C00037418

> <PUBMED_CITATION>
21438586

$$$$