CDK    9/10/12,15:49

 16 17  0  0  0  0  0  0  0  0999 V2000
    5.1152   -7.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1141   -7.9232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8289   -8.3360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8271   -6.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5425   -7.0922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5413   -7.9206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2543   -8.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9729   -7.9227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9741   -7.0942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2566   -6.6766    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2519   -9.1586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8306   -9.1610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4007   -6.6835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4005   -5.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6896   -6.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3993   -8.3351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0 
  5 10  1  0  0  0  0 
  6  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  2  0  0  0  0 
  9 10  1  0  0  0  0 
  5  6  1  0  0  0  0 
  7 11  2  0  0  0  0 
  3 12  1  0  0  0  0 
  2  3  1  0  0  0  0 
  1 13  1  0  0  0  0 
  3  6  2  0  0  0  0 
 13 14  1  0  0  0  0 
  1  2  2  0  0  0  0 
  9 15  1  0  0  0  0 
  5  4  2  0  0  0  0 
  2 16  1  0  0  0  0 
M  END
> <ID>
CHEBI:67491

> <NAME>
eugenitin

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

> <STAR>
2

> <SYNONYM>
4H-1-Benzopyran-4-one, 5-hydroxy-7-methoxy-2,6-dimethyl-

> <FORMULA>
C12H12O4

> <MASS>
220.22130

> <MONOISOTOPIC_MASS>
220.07356

> <CHARGE>
0

> <SMILES>
COc1cc2oc(C)cc(=O)c2c(O)c1C

> <INCHI>
InChI=1S/C12H12O4/c1-6-4-8(13)11-10(16-6)5-9(15-3)7(2)12(11)14/h4-5,14H,1-3H3

> <INCHIKEY>
RGTSAUBIQAKKLC-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
480-12-6

> <CHEMIDPLUS>
480-12-6

> <PUBMED_CITATION>
21504148

$$$$