3678270
  CDK     0409211651

 19 21  0  0  0  0  0  0  0  0999 V2000
    2.9565    0.3281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7371    0.9018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6266    0.0742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.3358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1661    0.0767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4515    0.4892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7371    0.0767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7371   -0.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1661   -0.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4515   -1.1608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9168    0.4948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9565   -0.9997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4383    1.3485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9234    1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8805   -0.3358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1793    1.7839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -0.3358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7002   -1.7839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7192    1.7527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0 
  1 17  1  0  0  0  0 
  2  6  1  0  0  0  0 
  3 11  1  0  0  0  0 
  4 17  2  0  0  0  0 
  5  6  1  0  0  0  0 
  5  9  1  0  0  0  0 
  5 11  1  0  0  0  0 
  5 15  1  0  0  0  0 
  6  7  1  0  0  0  0 
  6 13  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8 10  1  0  0  0  0 
  8 12  1  0  0  0  0 
  9 10  1  0  0  0  0 
 11 14  1  0  0  0  0 
 12 17  1  0  0  0  0 
 12 18  1  0  0  0  0 
 13 16  1  0  0  0  0 
 13 19  2  0  0  0  0 
 14 16  1  0  0  0  0 
M  END
> <ID>
CHEBI:168328

> <NAME>
Artemin

> <STAR>
2

> <IUPAC_NAME>
6,9a-dihydroxy-3,5a-dimethyl-9-methylidene-3,3a,4,5,6,7,8,9b-octahydrobenzo[g][1]benzouran-2-one

> <FORMULA>
C15H22O4

> <MASS>
266.337

> <MONOISOTOPIC_MASS>
266.15181

> <CHARGE>
0

> <SMILES>
O1C2C3(O)C(CCC2C(C1=O)C)(C(O)CCC3=C)C

> <INCHI>
InChI=1S/C15H22O4/c1-8-4-5-11(16)14(3)7-6-10-9(2)13(17)19-12(10)15(8,14)18/h9-12,16,18H,1,4-7H2,2-3H3

> <INCHIKEY>
CJLHTKGWEUGORV-UHFFFAOYSA-N

$$$$