Mrv0541 10011413572D          

 25 29  0  0  0  0            999 V2000
    6.9917   -6.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000   -7.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9875   -5.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000   -5.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4167   -5.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4167   -6.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2708   -5.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000   -4.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2792   -7.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6958   -7.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2667   -4.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9875   -8.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2708   -7.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9833   -4.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1333   -5.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6583   -8.5208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8167   -9.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1292   -7.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9958   -9.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5583   -5.9208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5542   -4.2708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1292   -4.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4125   -4.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5625   -6.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8417   -4.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9  1  1  0  0  0  0
 10  2  1  0  0  0  0
 11  7  2  0  0  0  0
 12 13  1  0  0  0  0
 13  9  2  0  0  0  0
 14 11  1  0  0  0  0
 15  5  2  0  0  0  0
 16 13  1  0  0  0  0
 17 12  1  0  0  0  0
 18  6  2  0  0  0  0
 19 16  1  0  0  0  0
 20  7  1  0  0  0  0
 21 11  1  0  0  0  0
 22 15  1  0  0  0  0
 23  8  1  0  0  0  0
 24 20  1  0  0  0  0
 25 21  1  0  0  0  0
  5  6  1  0  0  0  0
 10 12  2  0  0  0  0
 14  8  2  0  0  0  0
 23 22  2  0  0  0  0
 17 19  1  0  0  0  0
M  END
> <ID>
CHEBI:70651

> <NAME>
oxonantenine

> <DEFINITION>
An oxoaporphine alkaloid isolated from Annona glabra and has been shown to exhibit acetylcholinesterase inhibitory activity.

> <STAR>
3

> <SYNONYM>
1,2-dimethoxy-4,5,6,6a-tetradehydro-9,10-(methylenedioxy)noraprophin-7-one

> <IUPAC_NAME>
1,2-dimethoxy-7H-benzo[de][1,3]benzodioxolo[5,6-g]quinolin-7-one

> <FORMULA>
C19H13NO5

> <MASS>
335.31020

> <MONOISOTOPIC_MASS>
335.07937

> <CHARGE>
0

> <SMILES>
COc1cc2ccnc3C(=O)c4cc5OCOc5cc4-c(c1OC)c23

> <INCHI>
InChI=1S/C19H13NO5/c1-22-14-5-9-3-4-20-17-15(9)16(19(14)23-2)10-6-12-13(25-8-24-12)7-11(10)18(17)21/h3-7H,8H2,1-2H3

> <INCHIKEY>
NFDVJYPMLVMXRR-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
15358-38-0

> <REAXYS_REGISTRY_NUMBER>
1088888

> <CHEMIDPLUS>
15358-38-0

> <KNAPSACK_ACCESSION>
C00025995

> <PUBMED_CITATION>
17401850; 17402008; 20944522

$$$$