CDK    9/10/12,15:49

 18 18  0  0  0  0  0  0  0  0999 V2000
   -3.5292   -7.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8167   -7.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1000   -7.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5292   -8.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1000   -8.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8167   -8.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3875   -7.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2417   -7.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708   -7.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417   -7.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2417   -6.2083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8208   -6.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2458   -8.6833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833   -8.6833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9583   -7.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7583   -7.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375   -6.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9583   -8.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0 
  3  2  2  0  0  0  0 
  4  1  2  0  0  0  0 
  5  6  2  0  0  0  0 
  6  4  1  0  0  0  0 
  7  3  1  0  0  0  0 
  8  1  1  0  0  0  0 
  9  7  1  0  0  0  0 
 10  9  2  0  0  0  0 
 11  8  2  0  0  0  0 
 12  2  1  0  0  0  0 
 13  4  1  0  0  0  0 
 14  5  1  0  0  0  0 
 15  8  1  0  0  0  0 
 16 10  1  0  0  0  0 
 17 10  1  0  0  0  0 
 18 13  1  0  0  0  0 
  3  5  1  0  0  0  0 
M  END
> <ID>
CHEBI:67490

> <NAME>
Preremirol

> <DEFINITION>
A natural product found in Cyperus teneriffae. 

> <STAR>
2

> <SYNONYM>
1-[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-enyl)phenyl]ethanone

> <FORMULA>
C14H18O4

> <MASS>
250.29030

> <MONOISOTOPIC_MASS>
250.12051

> <CHARGE>
0

> <SMILES>
COc1cc(O)c(CC=C(C)C)c(O)c1C(C)=O

> <INCHI>
InChI=1S/C14H18O4/c1-8(2)5-6-10-11(16)7-12(18-4)13(9(3)15)14(10)17/h5,7,16-17H,6H2,1-4H3

> <INCHIKEY>
KASLWEHUDINBOP-UHFFFAOYSA-N

> <PUBMED_CITATION>
21504148

$$$$