Mrv0541 10091312082D          

 23 25  0  0  0  0            999 V2000
    6.1333   -5.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4167   -5.5375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.8458   -5.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1292   -6.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5583   -5.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5583   -6.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8375   -7.1958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2708   -5.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -4.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7083   -5.9542    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8500   -4.7167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4167   -7.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2625   -7.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9875   -5.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4083   -4.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000   -4.9458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9792   -6.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7083   -6.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2750   -4.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1708   -4.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9917   -5.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6958   -7.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7542   -4.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  4  1  0  0  0  0
  8  5  2  0  0  0  0
  9  2  1  0  0  0  0
 10  2  1  0  0  0  0
 11  3  2  0  0  0  0
 12  4  1  0  0  0  0
 13  6  2  0  0  0  0
 14  8  1  0  0  0  0
 15  9  2  0  0  0  0
  2 16  1  6  0  0  0
 17 14  2  0  0  0  0
 18 12  1  0  0  0  0
 19  8  1  0  0  0  0
 20  9  1  0  0  0  0
 10 21  1  1  0  0  0
 22 17  1  0  0  0  0
 23 20  1  0  0  0  0
  6  7  1  0  0  0  0
 18 10  1  0  0  0  0
 17 13  1  0  0  0  0
M  END
> <ID>
CHEBI:68225

> <NAME>
(7R,8R)-alpha-diversonolic ester

> <DEFINITION>
A member of the class of xanthones that is methyl 2,3,4,9-tetrahydro-1H-xanthene-1-carboxylate substituted by hydroxy groups at positions 1, 2 and 8, a methyl group at position 6 and an oxo group at position 9 (the 1R,2R stereoisomer). It has been isolated from the sea fan derived fungus Aspergillus sydowii.

> <STAR>
3

> <IUPAC_NAME>
methyl (1R,2R)-1,2,8-trihydroxy-6-methyl-9-oxo-2,3,4,9-tetrahydro-1H-xanthene-1-carboxylate

> <FORMULA>
C16H16O7

> <MASS>
320.29400

> <MONOISOTOPIC_MASS>
320.08960

> <CHARGE>
0

> <SMILES>
COC(=O)[C@]1(O)[C@H](O)CCc2oc3cc(C)cc(O)c3c(=O)c12

> <INCHI>
InChI=1S/C16H16O7/c1-7-5-8(17)12-10(6-7)23-9-3-4-11(18)16(21,15(20)22-2)13(9)14(12)19/h5-6,11,17-18,21H,3-4H2,1-2H3/t11-,16+/m1/s1

> <INCHIKEY>
YZMBEUQMDLBCDY-BZNIZROVSA-N

> <REAXYS_REGISTRY_NUMBER>
18855374

> <PUBMED_CITATION>
21718031

$$$$