97487
  CDK     0409211652

 22 25  0  0  0  0  0  0  0  0999 V2000
    7.6837   -0.0694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4574    1.5231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8169   -0.8255    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9555   -0.8845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4815   -0.3452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2885   -0.5168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2266    0.4394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8405    0.0964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4066    0.4372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5856    0.8809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1539   -0.3429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7787    1.0524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3805   -1.5231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5415   -1.3380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5707   -1.4342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7392   -0.6266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8443    1.0803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1376    1.4940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3213   -0.5341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0076    0.9084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7443    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499    1.3540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0 
  1  8  1  0  0  0  0 
  2 20  1  0  0  0  0 
  2 22  1  0  0  0  0 
  3  5  1  0  0  0  0 
  3 11  1  0  0  0  0 
  4 13  1  0  0  0  0 
  4 15  1  0  0  0  0 
  4 16  1  0  0  0  0 
  5  6  1  0  0  0  0 
  5  7  2  0  0  0  0 
  6  8  2  0  0  0  0 
  6 14  1  0  0  0  0 
  7  9  1  0  0  0  0 
  7 12  1  0  0  0  0 
  8 10  1  0  0  0  0 
  9 11  2  0  0  0  0 
  9 17  1  0  0  0  0 
 10 12  2  0  0  0  0 
 10 18  1  0  0  0  0 
 11 19  1  0  0  0  0 
 13 14  2  0  0  0  0 
 17 20  2  0  0  0  0 
 19 21  2  0  0  0  0 
 20 21  1  0  0  0  0 
M  END
> <ID>
CHEBI:169698

> <NAME>
Koenimbine

> <STAR>
2

> <IUPAC_NAME>
8-methoxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazole

> <FORMULA>
C19H19NO2

> <MASS>
293.366

> <MONOISOTOPIC_MASS>
293.14158

> <CHARGE>
0

> <SMILES>
O1C(C=CC=2C=3NC4=C(C3C=C(C12)C)C=C(OC)C=C4)(C)C

> <INCHI>
InChI=1S/C19H19NO2/c1-11-9-15-14-10-12(21-4)5-6-16(14)20-17(15)13-7-8-19(2,3)22-18(11)13/h5-10,20H,1-4H3

> <INCHIKEY>
OSERHKINMDLESD-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
21087-98-9

> <CHEMIDPLUS>
21087-98-9

$$$$