131836741
  CDK     1109211115

 20 22  0  0  0  0  0  0  0  0999 V2000
    2.2539   -1.1360    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2453    0.0729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    0.1015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    1.7515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7058    0.0816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664   -1.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -1.1360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -0.7235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520   -2.2630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809   -2.2630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    0.1015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.5140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.5140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    1.3390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    1.3390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    1.7515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2453    1.7801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9929    0.4968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9929    1.3561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.5140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0 
  1  7  1  0  0  0  0 
  2 12  1  0  0  0  0 
  2 18  1  0  0  0  0 
  3 13  1  0  0  0  0 
  3 20  1  0  0  0  0 
  4 15  1  0  0  0  0 
  5 18  2  0  0  0  0 
  6  7  1  0  0  0  0 
  6  9  1  0  0  0  0 
  6 10  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
 11 13  1  0  0  0  0 
 12 14  1  0  0  0  0 
 13 15  2  0  0  0  0 
 14 16  2  0  0  0  0 
 14 17  1  0  0  0  0 
 15 16  1  0  0  0  0 
 17 19  2  0  0  0  0 
 18 19  1  0  0  0  0 
M  END
> <ID>
CHEBI:183554

> <NAME>
8-[(3,3-dimethyloxiran-2-yl)methyl]-6-hydroxy-7-methoxy-2H-chromen-2-one

> <STAR>
2

> <IUPAC_NAME>
8-[(3,3-dimethyloxiran-2-yl)methyl]-6-hydroxy-7-methoxychromen-2-one

> <FORMULA>
C15H16O5

> <MASS>
276.288

> <MONOISOTOPIC_MASS>
276.09977

> <CHARGE>
0

> <SMILES>
O1C(C1CC2=C3OC(=O)C=CC3=CC(O)=C2OC)(C)C

> <INCHI>
InChI=1S/C15H16O5/c1-15(2)11(20-15)7-9-13-8(4-5-12(17)19-13)6-10(16)14(9)18-3/h4-6,11,16H,7H2,1-3H3

> <INCHIKEY>
ROOSRIZPTCVPLD-UHFFFAOYSA-N

$$$$