Marvin  04111309352D          

 23 25  0  0  1  0            999 V2000
   10.3466   -6.7251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3455   -5.8983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0599   -5.4856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0581   -7.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7730   -6.7288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7718   -5.9007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4844   -5.4881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4867   -7.1441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2038   -6.7268    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.2003   -5.9007    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.9100   -5.4872    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.6277   -5.8948    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.6311   -6.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9169   -7.1390    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.4867   -7.9686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0556   -7.9622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9192   -7.9635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9054   -4.6626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3394   -5.4786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1922   -5.0803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1964   -7.5538    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6311   -5.4866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9173   -5.8994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  6  2  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  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
  4 16  1  0  0  0  0
  6  7  1  0  0  0  0
 14 17  1  6  0  0  0
  7 10  1  0  0  0  0
 11 18  1  1  0  0  0
  9  8  1  0  0  0  0
 12 19  1  1  0  0  0
  9 10  1  0  0  0  0
 10 20  1  1  0  0  0
  5  4  2  0  0  0  0
  9 21  1  1  0  0  0
  4  1  1  0  0  0  0
  2 22  1  0  0  0  0
  5  6  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
> <ID>
CHEBI:66399

> <NAME>
monodictysin C

> <DEFINITION>
A member of the class of xanthones that is 1,2,3,4,4a,9a-hexahydro-9H-xanthen-9-one substituted by hydroxy groups at positions 1, 4 and 8, methyl groups at positions 3 and 4a and a methoxy group at position 6 (the 1S,3S,4S,4aS,9aS stereoisomer). Isolated from the marine algicolous fungus Monodictys putredinis, it exhibits antineoplastic activity.

> <STAR>
3

> <IUPAC_NAME>
(1S,3S,4S,4aS,9aS)-1,4,8-trihydroxy-6-methoxy-3,4a-dimethyl-1,2,3,4,4a,9a-hexahydro-9H-xanthen-9-one

> <FORMULA>
C16H20O6

> <MASS>
308.32640

> <MONOISOTOPIC_MASS>
308.12599

> <CHARGE>
0

> <SMILES>
[H][C@]12[C@@H](O)C[C@H](C)[C@H](O)[C@@]1(C)Oc1cc(OC)cc(O)c1C2=O

> <INCHI>
InChI=1S/C16H20O6/c1-7-4-10(18)13-14(19)12-9(17)5-8(21-3)6-11(12)22-16(13,2)15(7)20/h5-7,10,13,15,17-18,20H,4H2,1-3H3/t7-,10-,13+,15-,16-/m0/s1

> <INCHIKEY>
PIJNYABFKNAKHE-YZKPXJPOSA-N

> <REAXYS_REGISTRY_NUMBER>
11058829

> <PUBMED_CITATION>
17291041

$$$$