Mrv0541 10151317022D          

 21 23  0  0  0  0            999 V2000
    1.0531    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3394   -0.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3409   -0.8263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3728   -1.2401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0880   -0.8290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8018   -1.2428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5170   -0.8315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5184   -0.0065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8048    0.4072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8063    1.2322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0895   -0.0040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3758    0.4099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3774    1.2349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0562   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7698   -0.8237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7684    0.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0515    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7652    1.6513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4805    1.2402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3363    1.6487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4821    0.4151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11  5  2  0  0  0  0
 11 12  1  0  0  0  0
 12  2  1  0  0  0  0
 12 13  2  0  0  0  0
  3 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16  1  2  0  0  0  0
  1 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 17 20  2  0  0  0  0
 16 21  1  0  0  0  0
M  END
> <ID>
CHEBI:68716

> <NAME>
2-hydroxyvertixanthone

> <DEFINITION>
A member of the class of xanthones that is methyl 9H-xanthene-1-carboxylate substituted by hydroxy groups at positions 2 and 8 and an oxo group at position 9. It has been isolated from Chaetomium globosum.

> <STAR>
3

> <IUPAC_NAME>
methyl 2,8-dihydroxy-9-oxo-9H-xanthene-1-carboxylate

> <FORMULA>
C15H10O6

> <MASS>
286.23630

> <MONOISOTOPIC_MASS>
286.04774

> <CHARGE>
0

> <SMILES>
COC(=O)c1c(O)ccc2oc3cccc(O)c3c(=O)c12

> <INCHI>
InChI=1S/C15H10O6/c1-20-15(19)12-8(17)5-6-10-13(12)14(18)11-7(16)3-2-4-9(11)21-10/h2-6,16-17H,1H3

> <INCHIKEY>
RHTSTEXCCXSDAD-UHFFFAOYSA-N

> <REAXYS_REGISTRY_NUMBER>
10570283

> <PUBMED_CITATION>
16904330

$$$$