Marvin  03161014092D          

 12 13  0  0  0  0            999 V2000
   -2.5045    1.5616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2189    1.9741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9334    1.5616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9334    0.7366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2189    0.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5045    0.7366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7900    0.3241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0755    0.7366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0755    1.5616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7900    1.9741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7900    2.7991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6479    1.9741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  1 10  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
  3 12  1  0  0  0  0
M  END
> <ID>
CHEBI:28799

> <NAME>
quinoline-4,6-diol

> <DEFINITION>
Quinoline substituted by hydroxy groups at the 4- and 6-positions. It is the product of 5-hydroxytryptophan metabolism, via monoamine oxidase catalysed conversion of 5-hydroxykynurenamine.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:1755; CHEBI:26504

> <SYNONYM>
Quinoline-4,6-diol; 6-hydroxy-1H-quinolin-4-one; 4,6-Dihydroxyquinoline

> <IUPAC_NAME>
quinoline-4,6-diol

> <FORMULA>
C9H7NO2

> <MASS>
161.15740

> <MONOISOTOPIC_MASS>
161.04768

> <CHARGE>
0

> <SMILES>
Oc1ccc2nccc(O)c2c1

> <INCHI>
InChI=1S/C9H7NO2/c11-6-1-2-8-7(5-6)9(12)3-4-10-8/h1-5,11H,(H,10,12)

> <INCHIKEY>
XFALURCRIGINGT-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
124068

> <KEGG_COMPOUND_ACCESSION>
C05639

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