Ketcher 06022312002D 1   1.00000     0.00000     0

 25 28  0     0  0            999 V2000
   12.5069  -19.2818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8978  -22.4509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1657  -22.4509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1657  -19.4509    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1002  -18.3682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1057  -18.4727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8978  -19.4509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7638  -19.9509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0317  -19.9509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0317  -20.9509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7638  -20.9509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8978  -21.4509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2996  -19.9509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1657  -21.4509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2996  -20.9509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1657  -18.4509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4336  -19.4509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4336  -21.4509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5676  -19.9509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5676  -20.9509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6002  -17.5022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6002  -17.5022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1002  -16.6362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7342  -17.0022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6002  -16.5022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0     0  0
  1  8  1  0     0  0
  2 12  1  0     0  0
  3 14  2  0     0  0
  4  9  1  0     0  0
  4 13  1  0     0  0
  4 16  1  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  7  8  2  0     0  0
  7  9  1  0     0  0
  8 11  1  0     0  0
  9 10  2  0     0  0
 10 12  1  0     0  0
 10 14  1  0     0  0
 11 12  2  0     0  0
 13 15  1  0     0  0
 13 17  2  0     0  0
 14 15  1  0     0  0
 15 18  2  0     0  0
 17 19  1  0     0  0
 18 20  1  0     0  0
 19 20  2  0     0  0
  5 21  1  0     0  0
 21 22  1  0     0  0
 22 23  1  0     0  0
 21 24  1  0     0  0
 21 25  1  0     0  0
M  END
> <ID>
CHEBI:195185

> <NAME>
gravacridonediol

> <DEFINITION>
An acridone derivative with formula C19H19NO5. It is isolated from the roots of Ruta graveolens and Thamnosma rhodesica.

> <STAR>
3

> <SYNONYM>
gravacridondiol; 2-(1,2-dihydroxypropan-2-yl)-5-hydroxy-11-methyl-1,2-dihydrouro[2,3-c]acridin-6-one; 2-(1,2-dihydroxy-1-methylethyl)-1,11-dihydro-5-hydroxy-11-methylfuro[2,3-c]acridin-6(2H)-one

> <IUPAC_NAME>
2-(1,2-dihydroxypropan-2-yl)-5-hydroxy-11-methyl-1,11-dihydrofuro[2,3-c]acridin-6(2H)-one

> <FORMULA>
C19H19NO5

> <MASS>
341.363

> <MONOISOTOPIC_MASS>
341.12632

> <CHARGE>
0

> <SMILES>
CN1C2=CC=CC=C2C(=O)C2=C1C1=C(OC(C1)C(C)(O)CO)C=C2O

> <INCHI>
InChI=1S/C19H19NO5/c1-19(24,9-21)15-7-11-14(25-15)8-13(22)16-17(11)20(2)12-6-4-3-5-10(12)18(16)23/h3-6,8,15,21-22,24H,7,9H2,1-2H3

> <INCHIKEY>
RQAGSTDFTGSIGB-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
37551-75-0

> <KNAPSACK_ACCESSION>
C00050597

> <PUBMED_CITATION>
15081302; 15110689; 16271733; 27272785; 36009907

$$$$