Marvin  04221315252D          

 29 33  0  0  0  0            999 V2000
   -4.4627    1.0681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0446    0.3534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8726    0.3488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9040    0.3159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0765    0.3159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4903    1.0323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0446   -0.4740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3306    0.7629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3306   -0.8920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6164   -0.4740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6153    0.3534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9022    0.7639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9043   -0.8910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1866   -0.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1818    0.3491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4690    0.7549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4786   -0.8948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2388   -0.4842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2430    0.3363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9518    0.7407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9435   -0.9004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6568   -0.4915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6598    0.3282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3670    0.7333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3614   -0.9060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9065   -1.7185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4846   -1.7223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9556    1.5682    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0733   -0.4963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  6  5  1  0  0  0  0
  7  9  2  0  0  0  0
  2  8  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 16 19  1  0  0  0  0
 18 17  1  0  0  0  0
 18 19  2  0  0  0  0
  8 11  1  0  0  0  0
 10  9  1  0  0  0  0
 10 11  2  0  0  0  0
  2  1  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  1  0  0  0  0
 20 23  2  0  0  0  0
 22 21  2  0  0  0  0
 22 23  1  0  0  0  0
  3  2  1  0  0  0  0
  7  2  1  0  0  0  0
  5  4  1  0  0  0  0
 10 13  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  1  0  0  0  0
 24  5  1  0  0  0  0
 29 25  2  0  0  0  0
 11 12  1  0  0  0  0
 13 26  1  0  0  0  0
 12 15  2  0  0  0  0
 17 27  2  0  0  0  0
 14 13  2  0  0  0  0
 20 28  1  0  0  0  0
  5 29  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
> <ID>
CHEBI:66302

> <NAME>
pyranojacareubin

> <DEFINITION>
An organic heteropentacyclic compound that is 2H,6H,10H-dipyrano[3,2-b:2',3'-i]xanthene substituted by hydroxy groups at positions 5 and 12, geminal methyl groups at positions 2 and 10 and an oxo group at position 6. Isolated from Calophyllum blancoi it exhibits antiviral activity.

> <STAR>
3

> <IUPAC_NAME>
5,12-dihydroxy-2,2,10,10-tetramethyl-2H,6H,10H-dipyrano[3,2-b:2',3'-i]xanthen-6-one

> <FORMULA>
C23H20O6

> <MASS>
392.40130

> <MONOISOTOPIC_MASS>
392.12599

> <CHARGE>
0

> <SMILES>
CC1(C)Oc2cc3oc4c(O)c5OC(C)(C)C=Cc5cc4c(=O)c3c(O)c2C=C1

> <INCHI>
InChI=1S/C23H20O6/c1-22(2)8-6-12-14(28-22)10-15-16(17(12)24)18(25)13-9-11-5-7-23(3,4)29-20(11)19(26)21(13)27-15/h5-10,24,26H,1-4H3

> <INCHIKEY>
ZMJXZBDITYZMTK-UHFFFAOYSA-N

> <REAXYS_REGISTRY_NUMBER>
6352609

> <PUBMED_CITATION>
15684529; 17826924; 19408685; 21972812

$$$$