Marvin  04091312492D          

 25 27  0  0  0  0            999 V2000
    9.8105   -7.5988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0977   -7.1777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1069   -6.3518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8282   -5.9459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5290   -7.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5454   -6.3737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2622   -5.9787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2296   -7.6243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9509   -7.2248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9642   -6.4044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6802   -6.0077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3832   -6.4300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3658   -7.2534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6494   -7.6464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3966   -5.9311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8386   -5.1205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2120   -8.4497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6324   -8.4717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1058   -6.0311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8127   -6.4575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6944   -5.1822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9869   -4.7570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4165   -4.7820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4309   -3.9565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1242   -5.2071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 11 12  2  0  0  0  0
  2  3  1  0  0  0  0
 12 13  1  0  0  0  0
  1  2  2  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  3  4  2  0  0  0  0
  3 15  1  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
  8 17  2  0  0  0  0
  7 10  1  0  0  0  0
 14 18  1  0  0  0  0
  9  8  1  0  0  0  0
 12 19  1  0  0  0  0
  4  6  1  0  0  0  0
 19 20  1  0  0  0  0
  5  1  1  0  0  0  0
 11 21  1  0  0  0  0
  9 10  2  0  0  0  0
 21 22  2  0  0  0  0
  5  6  2  0  0  0  0
 21 23  1  0  0  0  0
 10 11  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
> <ID>
CHEBI:66367

> <NAME>
vieillardixanthone

> <DEFINITION>
A member of the class of xanthones  that is xanthone substituted by hydroxy groups at positions 1, 5 and 6, a methoxy group at position 3 and a 3-methylbut-1-en-2-yl group at position 4. Isolated from the stem barks of Garcinia vieillardii, it exhibits antioxidant activity.

> <STAR>
3

> <IUPAC_NAME>
1,5,6-trihydroxy-3-methoxy-4-(3-methylbut-1-en-2-yl)-9H-xanthen-9-one

> <FORMULA>
C19H18O6

> <MASS>
342.34260

> <MONOISOTOPIC_MASS>
342.11034

> <CHARGE>
0

> <SMILES>
COc1cc(O)c2c(oc3c(O)c(O)ccc3c2=O)c1C(=C)C(C)C

> <INCHI>
InChI=1S/C19H18O6/c1-8(2)9(3)14-13(24-4)7-12(21)15-16(22)10-5-6-11(20)17(23)18(10)25-19(14)15/h5-8,20-21,23H,3H2,1-2,4H3

> <INCHIKEY>
NSYLWTGDDXBREV-UHFFFAOYSA-N

> <REAXYS_REGISTRY_NUMBER>
11309215

> <PUBMED_CITATION>
15104511

$$$$