13918461
  CDK     0602212311

 19 21  0  0  0  0  0  0  0  0999 V2000
    2.9565   -0.0844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6265   -0.3383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1761    2.1963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.7483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1661   -0.3358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4515    0.0767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1661   -1.1608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7371   -0.3358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7371   -1.1608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4515   -1.5733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9168    0.0823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8805   -0.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4383    0.9360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9234    0.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9565   -1.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1792    1.3714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -0.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7191    1.3402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7001   -2.1963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0 
  1 17  1  0  0  0  0 
  2 11  1  0  0  0  0 
  3 16  2  0  0  0  0 
  4 17  2  0  0  0  0 
  5  6  1  0  0  0  0 
  5  7  1  0  0  0  0 
  5 11  1  0  0  0  0 
  5 12  1  0  0  0  0 
  6  8  1  0  0  0  0 
  6 13  2  0  0  0  0 
  7 10  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
  9 15  1  0  0  0  0 
 11 14  1  0  0  0  0 
 13 16  1  0  0  0  0 
 13 18  1  0  0  0  0 
 14 16  1  0  0  0  0 
 15 17  1  0  0  0  0 
 15 19  2  0  0  0  0 
M  END
> <ID>
CHEBI:174461

> <NAME>
Armexifolin

> <STAR>
2

> <IUPAC_NAME>
6-hydroxy-5a,9-dimethyl-3-methylidene-3a,4,5,6,7,9b-hexahydrobenzo[g][1]benzouran-2,8-dione

> <FORMULA>
C15H18O4

> <MASS>
262.305

> <MONOISOTOPIC_MASS>
262.12051

> <CHARGE>
0

> <SMILES>
O1C2C=3C(CCC2C(C1=O)=C)(C(O)CC(=O)C3C)C

> <INCHI>
InChI=1S/C15H18O4/c1-7-9-4-5-15(3)11(17)6-10(16)8(2)12(15)13(9)19-14(7)18/h9,11,13,17H,1,4-6H2,2-3H3

> <INCHIKEY>
QPXLDBMZJNDASA-UHFFFAOYSA-N

$$$$