Marvin  08131011462D          

 12 12  0  0  0  0            999 V2000
    8.9896  -17.9324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7068  -18.3401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2760  -18.3401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9858  -17.1094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7068  -19.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4204  -17.9287    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2760  -19.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6954  -16.7017    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.2723  -16.7056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9896  -19.5936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4204  -19.5822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9858  -20.4127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
 10 12  1  0  0  0  0
  7 10  2  0  0  0  0
M  CHG  1   8  -1
M  END
> <ID>
CHEBI:36558

> <NAME>
3-hydroxy-4-methylanthranilate

> <DEFINITION>
The conjugate base of 3-hydroxy-4-methylanthranilic acid.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:20046; CHEBI:11816

> <SYNONYM>
3-hydroxy-4-methylanthranilate

> <IUPAC_NAME>
2-amino-3-hydroxy-4-methylbenzoate

> <FORMULA>
C8H8NO3

> <MASS>
166.15400

> <MONOISOTOPIC_MASS>
166.05097

> <CHARGE>
-1

> <SMILES>
Cc1ccc(C([O-])=O)c(N)c1O

> <INCHI>
InChI=1S/C8H9NO3/c1-4-2-3-5(8(11)12)6(9)7(4)10/h2-3,10H,9H2,1H3,(H,11,12)/p-1

> <INCHIKEY>
OYZONAXDAWHDMN-UHFFFAOYSA-M

> <KEGG_COMPOUND_ACCESSION>
C03986

$$$$