CDK     1029232201

 20 20  0  0  0  0  0  0  0  0999 V2000
    5.7159   -0.4125    0.0000 O   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   -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
    4.2870   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0014   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.6500    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
    2.1435    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7159   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.4751    0.0000 O   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
    6.4304   -2.4751    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
    7.1449   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4304   -3.3001    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  1  0  0  0  0 
  5  9  2  0  0  0  0 
  7 10  2  0  0  0  0 
  7 11  1  0  0  0  0 
  8 12  3  0  0  0  0 
  9 13  1  0  0  0  0 
 11 14  1  0  0  0  0 
 12 15  1  0  0  0  0 
 14 16  2  0  0  0  0 
 15 17  2  0  0  0  0 
 15 18  1  0  0  0  0 
 16 19  1  0  0  0  0 
 16 20  1  0  0  0  0 
  9 10  1  0  0  0  0 
M  END
> <ID>
CHEBI:203400

> <NAME>
2,5-dihydroxy-3-isopropenyl-6-(3-methylbut-3-en-1-ynyl)benzaldehyde

> <STAR>
2

> <IUPAC_NAME>
2,5-dihydroxy-3-(3-methylbut-2-enyl)-6-(3-methylbut-3-en-1-ynyl)benzaldehyde

> <FORMULA>
C17H18O3

> <MASS>
270.328

> <MONOISOTOPIC_MASS>
270.12559

> <CHARGE>
0

> <SMILES>
O=CC1=C(O)C(=CC(=C1C#CC(=C)C)O)CC=C(C)C

> <INCHI>
InChI=1S/C17H18O3/c1-11(2)5-7-13-9-16(19)14(8-6-12(3)4)15(10-18)17(13)20/h5,9-10,19-20H,3,7H2,1-2,4H3

> <INCHIKEY>
OHAIZLWDWYVYPJ-UHFFFAOYSA-N

$$$$