CDK    9/10/12,15:49

 19 19  0  0  0  0  0  0  0  0999 V2000
   15.0577   -7.0186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3371   -6.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6874   -9.5262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0785   -7.8433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7658   -6.5896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3912   -9.0971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3163   -5.7940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3746   -8.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7081  -10.3509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9626   -9.1304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6332   -7.0478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7492   -5.7607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0202   -5.3650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7867   -7.4226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8033   -8.2391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9459   -8.3057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2586   -9.5595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0035   -4.5444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5073   -7.8267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0 
  3  6  1  0  0  0  0 
  4  1  1  0  0  0  0 
  5  1  1  0  0  0  0 
  6  8  1  0  0  0  0 
  7  2  1  0  0  0  0 
  8  4  1  0  0  0  0 
  9  3  2  0  0  0  0 
 10  3  1  0  0  0  0 
 11  2  1  0  0  0  0 
 12  5  2  0  0  0  0 
 13 12  1  0  0  0  0 
 14  4  1  0  0  0  0 
 15  4  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 
 19 14  1  0  0  0  0 
 13  7  2  0  0  0  0 
M  END
> <ID>
CHEBI:67431

> <NAME>
8-methoxy-9-O-isobutyrylthymol

> <DEFINITION>
A natural product found in Eupatorium cannabinum subspecies asiaticum. 

> <STAR>
2

> <SYNONYM>
2-(2-Hydroxy-4-methylphenyl)-2-methoxypropyl 2-methylpropanoate

> <FORMULA>
C15H22O4

> <MASS>
266.33280

> <MONOISOTOPIC_MASS>
266.15181

> <CHARGE>
0

> <SMILES>
COC(C)(COC(=O)C(C)C)c1ccc(C)cc1O

> <INCHI>
InChI=1S/C15H22O4/c1-10(2)14(17)19-9-15(4,18-5)12-7-6-11(3)8-13(12)16/h6-8,10,16H,9H2,1-5H3

> <INCHIKEY>
JUQOFHFHZAKXEM-UHFFFAOYSA-N

> <PUBMED_CITATION>
21391659

$$$$