16 17  0  0  0  0  0  0  0  0999 V2000
   25.2471  -20.7960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2471  -22.1922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4339  -22.8902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6206  -22.1922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6206  -20.7960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4339  -20.0980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.8771  -22.8902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0638  -22.1922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0638  -20.7960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.8771  -20.0980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.4339  -18.7018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.9906  -20.0980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.9906  -22.8902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.2506  -20.1678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.2248  -18.0037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8041  -22.1787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0     0  0
  2  3  1  0     0  0
  3  4  2  0     0  0
  4  5  1  0     0  0
  5  6  2  0     0  0
  1  6  1  0     0  0
  4  7  1  0     0  0
  7  8  2  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
  5 10  1  0     0  0
  6 11  1  0     0  0
  1 12  1  0     0  0
  2 13  1  0     0  0
  9 14  2  0     0  0
 11 15  1  0     0  0
 13 16  1  0     0  0
M  END
> <ID>
CHEBI:81121

> <NAME>
Isofraxidin

> <STAR>
2

> <SYNONYM>
7-Hydroxy-6,8-dimethoxy-2H-1-benzopyran-2-one

> <FORMULA>
C11H10O5

> <MASS>
222.19410

> <MONOISOTOPIC_MASS>
222.05282

> <CHARGE>
0

> <SMILES>
COc1cc2ccc(=O)oc2c(OC)c1O

> <INCHI>
InChI=1S/C11H10O5/c1-14-7-5-6-3-4-8(12)16-10(6)11(15-2)9(7)13/h3-5,13H,1-2H3

> <INCHIKEY>
HOEVRHHMDJKUMZ-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
486-21-5

> <KEGG_COMPOUND_ACCESSION>
C17480

$$$$