9  9  0  0  0  0  0  0  0  0999 V2000
   26.3256  -22.0205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5460  -22.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1178  -22.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.3891  -20.6276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.5460  -24.1162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1178  -24.1162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.3256  -24.8318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7503  -22.0081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.3225  -26.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  1  3  2  0     0  0
  1  4  1  0     0  0
  2  5  2  0     0  0
  3  6  1  0     0  0
  5  7  1  0     0  0
  6  7  2  0     0  0
  2  8  1  0     0  0
  7  9  1  0     0  0
M  END
> <ID>
CHEBI:80515

> <NAME>
4-Fluorocatechol

> <STAR>
2

> <FORMULA>
C6H5FO2

> <MASS>
128.10110

> <MONOISOTOPIC_MASS>
128.02736

> <CHARGE>
0

> <SMILES>
Oc1ccc(F)cc1O

> <INCHI>
InChI=1S/C6H5FO2/c7-4-1-2-5(8)6(9)3-4/h1-3,8-9H

> <INCHIKEY>
NFWGQJUHSAGJBE-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
367-32-8

> <KEGG_COMPOUND_ACCESSION>
C16473

$$$$