5320780
  CDK     0512222200

 16 17  0  0  0  0  0  0  0  0999 V2000
    6.7024    1.0356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0930    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9276   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4461   -1.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6655   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6655    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4461    0.2514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7526   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0 
  2 16  1  0  0  0  0 
  3  4  1  0  0  0  0 
  3  7  1  0  0  0  0 
  3 12  1  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  5 10  1  0  0  0  0 
  6  7  1  0  0  0  0 
  6  8  1  0  0  0  0 
  8  9  2  0  0  0  0 
  8 14  1  0  0  0  0 
  9 11  1  0  0  0  0 
  9 13  1  0  0  0  0 
 10 11  2  0  0  0  0 
 11 15  1  0  0  0  0 
 13 16  1  0  0  0  0 
M  END
> <ID>
CHEBI:191612

> <NAME>
(R)-Pterosin B

> <STAR>
2

> <IUPAC_NAME>
6-(2-hydroxyethyl)-2,5,7-trimethyl-2,3-dihydroinden-1-one

> <FORMULA>
C14H18O2

> <MASS>
218.296

> <MONOISOTOPIC_MASS>
218.13068

> <CHARGE>
0

> <SMILES>
O=C1C(CC2=C1C(=C(C(=C2)C)CCO)C)C

> <INCHI>
InChI=1S/C14H18O2/c1-8-6-11-7-9(2)14(16)13(11)10(3)12(8)4-5-15/h6,9,15H,4-5,7H2,1-3H3

> <INCHIKEY>
SJNCSXMTBXDZQA-UHFFFAOYSA-N

$$$$