336321
  CDK     0602212310

 20 22  0  0  0  0  0  0  0  0999 V2000
    6.5014   -0.6639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6329    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0063    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0939    0.8449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0063   -0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9829    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8079    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5014    0.6639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7208    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7208   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8079   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8079    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0063    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2918   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2918    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0063   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5543   -0.8536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5543    0.8536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8068    0.4297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8068   -0.4297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0 
  1 10  1  0  0  0  0 
  2  7  1  0  0  0  0 
  3 13  2  0  0  0  0 
  4 19  1  0  0  0  0 
  5 10  1  0  0  0  0 
  5 14  1  0  0  0  0 
  5 16  1  0  0  0  0 
  6  7  1  0  0  0  0 
  6  8  1  0  0  0  0 
  7 11  1  0  0  0  0 
  7 12  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
  9 13  1  0  0  0  0 
 13 15  1  0  0  0  0 
 14 15  2  0  0  0  0 
 14 17  1  0  0  0  0 
 15 18  1  0  0  0  0 
 17 20  2  0  0  0  0 
 18 19  2  0  0  0  0 
 19 20  1  0  0  0  0 
M  END
> <ID>
CHEBI:173258

> <NAME>
Ribaline

> <STAR>
2

> <IUPAC_NAME>
6-hydroxy-2-(2-hydroxypropan-2-yl)-9-methyl-2,3-dihydrouro[2,3-b]quinolin-4-one

> <FORMULA>
C15H17NO4

> <MASS>
275.304

> <MONOISOTOPIC_MASS>
275.11576

> <CHARGE>
0

> <SMILES>
O1C(C(O)(C)C)CC2=C1N(C3=C(C2=O)C=C(O)C=C3)C

> <INCHI>
InChI=1S/C15H17NO4/c1-15(2,19)12-7-10-13(18)9-6-8(17)4-5-11(9)16(3)14(10)20-12/h4-6,12,17,19H,7H2,1-3H3

> <INCHIKEY>
ONPUKGULNMQBLF-UHFFFAOYSA-N

$$$$