Ketcher 07142313412D 1   1.00000     0.00000     0

 14 15  0     0  0            999 V2000
    2.8777    2.0067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8777   -2.0067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3106    0.9863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6022    1.9727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6022   -0.9863    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7480    0.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7480   -0.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8664    1.0206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8664   -1.0206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6022    0.9863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4564    0.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9727    0.5136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4564   -0.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9727   -0.5136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0     0  0
  2  9  1  0     0  0
  3 11  1  0     0  0
  4 10  2  0     0  0
  5  7  1  0     0  0
  5 13  1  0     0  0
  6  7  1  0     0  0
  6  8  2  0     0  0
  6 10  1  0     0  0
  7  9  2  0     0  0
  8 12  1  0     0  0
  9 14  1  0     0  0
 10 11  1  0     0  0
 11 13  2  0     0  0
 12 14  2  0     0  0
M  END
> <ID>
CHEBI:195170

> <NAME>
uranidine

> <DEFINITION>
A quinolone that is quinolin-4(1H)-one substituted by hydroxy groups at positions 3, 5, and 8. It is isolated from the sponge Aplysina aerophoba.

> <STAR>
3

> <SYNONYM>
3,5,8-trihydroxy-4(1H)-quinolinone; 3,5,8-trihydroxy-1H-quinolin-4-one; 3,5,8-trihydroxy-1,4-dihydroquinoline-4-one; 3,5,8-trihydroxy-1,4-dihydroquinolin-4-one

> <IUPAC_NAME>
3,5,8-trihydroxyquinolin-4(1H)-one

> <FORMULA>
C9H7NO4

> <MASS>
193.158

> <MONOISOTOPIC_MASS>
193.03751

> <CHARGE>
0

> <SMILES>
OC1=CNC2=C(O)C=CC(O)=C2C1=O

> <INCHI>
InChI=1S/C9H7NO4/c11-4-1-2-5(12)8-7(4)9(14)6(13)3-10-8/h1-3,11-13H,(H,10,14)

> <INCHIKEY>
WXBCVQJUZIAXDB-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
92264-09-0

> <KNAPSACK_ACCESSION>
C00052425

> <PUBMED_CITATION>
10098659; 19526725

$$$$