CDK    2/12/10,15:26

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0 
  2  1  1  0  0  0  0 
  2  7  2  0  0  0  0 
  3  8  2  0  0  0  0 
  1  4  1  0  0  0  0 
  3  4  1  0  0  0  0 
  5  3  1  0  0  0  0 
  5  6  1  0  0  0  0 
  5 23  1  1  0  0  0 
  6  9  1  0  0  0  0 
  6 10  2  0  0  0  0 
  7 12  1  0  0  0  0 
  7 13  1  0  0  0  0 
  8 14  1  0  0  0  0 
  9 15  1  0  0  0  0 
  9 14  2  0  0  0  0 
 11 16  1  0  0  0  0 
 11 17  1  0  0  0  0 
 12 18  1  0  0  0  0 
 12 16  2  0  0  0  0 
 14 19  1  0  0  0  0 
 15 20  1  0  0  0  0 
 15 21  2  0  0  0  0 
 16 22  1  0  0  0  0 
 17 25  2  0  0  0  0 
 17 24  1  0  0  0  0 
  2  5  1  0  0  0  0 
M  CHG  1  13  -1
M  CHG  1  19  -1
M  END
> <ID>
CHEBI:57266

> <NAME>
(-)-usnic acid(2-)

> <DEFINITION>
Dianion of (−)-usnic acid.

> <STAR>
3

> <SYNONYM>
(S)-usnate

> <IUPAC_NAME>
(9aS)-4,8-diacetyl-3-hydroxy-2,9a-dimethyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-1,7-diolate

> <FORMULA>
C18H14O7

> <MASS>
342.29960

> <MONOISOTOPIC_MASS>
342.07505

> <CHARGE>
-2

> <SMILES>
CC(=O)C1=C([O-])C=C2Oc3c(C(C)=O)c(O)c(C)c([O-])c3[C@]2(C)C1=O

> <INCHI>
InChI=1S/C18H16O7/c1-6-14(22)12(8(3)20)16-13(15(6)23)18(4)10(25-16)5-9(21)11(7(2)19)17(18)24/h5,21-23H,1-4H3/p-2/t18-/m1/s1

> <INCHIKEY>
WEYVVCKOOFYHRW-GOSISDBHSA-L

> <METACYC_ACCESSION>
CPD-7411

$$$$