CDK     1030232201

 18 18  0  0  0  0  0  0  0  0999 V2000
    6.4304    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7159    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0014    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2870    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0014    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2870    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2870   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7159   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2870   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1435    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  2  0  0  0  0 
  3  5  1  0  0  0  0 
  4  6  1  0  0  0  0 
  4  7  1  0  0  0  0 
  5  8  2  0  0  0  0 
  5  9  1  0  0  0  0 
  7 10  2  0  0  0  0 
  7 11  1  0  0  0  0 
  8 12  1  0  0  0  0 
 10 13  1  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 17  1  0  0  0  0 
 16 18  1  0  0  0  0 
  8 10  1  0  0  0  0 
M  END
> <ID>
CHEBI:214718

> <NAME>
Pleoniol B

> <STAR>
2

> <IUPAC_NAME>
2-hydroxy-3,5,6-trimethyl-4-(3-methylbut-2-enoxy)benzaldehyde

> <FORMULA>
C15H20O3

> <MASS>
248.322

> <MONOISOTOPIC_MASS>
248.14124

> <CHARGE>
0

> <SMILES>
O=CC1=C(O)C(=C(OCC=C(C)C)C(=C1C)C)C

> <INCHI>
InChI=1S/C15H20O3/c1-9(2)6-7-18-15-11(4)10(3)13(8-16)14(17)12(15)5/h6,8,17H,7H2,1-5H3

> <INCHIKEY>
HRHWOFGMYKCBGV-UHFFFAOYSA-N

$$$$