Marvin  12051214292D          

 20 22  0  0  0  0            999 V2000
   11.9328   -6.2452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9316   -7.0740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6481   -7.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6463   -5.8339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3593   -6.2416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3595   -7.0689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0759   -7.4800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0703   -5.8278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7831   -6.2342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7833   -7.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4988   -7.4713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2147   -7.0573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2097   -6.2311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4934   -5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0655   -5.0014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6439   -5.0076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6464   -8.3118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4887   -4.9987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9291   -7.4677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6403   -7.0559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  2  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
  2  3  2  0  0  0  0
 11 12  2  0  0  0  0
  5  6  2  0  0  0  0
 12 13  1  0  0  0  0
  3  6  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  6  7  1  0  0  0  0
  8 15  2  0  0  0  0
  7 10  1  0  0  0  0
  4 16  1  0  0  0  0
  1  2  1  0  0  0  0
  3 17  1  0  0  0  0
  9  8  1  0  0  0  0
 14 18  1  0  0  0  0
  8  5  1  0  0  0  0
 12 19  1  0  0  0  0
  5  4  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
> <ID>
CHEBI:3008

> <NAME>
bellidifolin

> <DEFINITION>
A member of the xanthone family that is bellidin substituted with a methyl group at O-3.  A natural product found  particularly in Swertia chirata and Gentianella campestris.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:65477

> <SYNONYM>
Bellidifolium; Bellidifoline; 3-Methoxy-1,5,8-trihydroxyxanthone

> <IUPAC_NAME>
1,5,8-trihydroxy-3-methoxy-9H-xanthen-9-one

> <FORMULA>
C14H10O6

> <MASS>
274.22560

> <MONOISOTOPIC_MASS>
274.04774

> <CHARGE>
0

> <SMILES>
COc1cc(O)c2c(c1)oc1c(O)ccc(O)c1c2=O

> <INCHI>
InChI=1S/C14H10O6/c1-19-6-4-9(17)11-10(5-6)20-14-8(16)3-2-7(15)12(14)13(11)18/h2-5,15-17H,1H3

> <INCHIKEY>
JDIORNFCMMYMLF-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
2798-25-6

> <REAXYS_REGISTRY_NUMBER>
288441

> <CHEMIDPLUS>
2798-25-6

> <KEGG_COMPOUND_ACCESSION>
C10053

> <KNAPSACK_ACCESSION>
C00002943

> <CHINESE_ABSTRACTS_CITATION>
344058

> <PUBMED_CITATION>
15490334; 18336006; 18446672; 19962285; 21985644; 7480198; 7809201; 20614821

$$$$