10085008
  CDK     0602212311

 21 24  0  0  0  0  0  0  0  0999 V2000
    7.7397   -0.0548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9940   -0.0650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8728   -0.8110    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0116   -0.8700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5375   -0.3307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3444   -0.5022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2826    0.4539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8965    0.1109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4625    0.4518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6415    0.8955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2097   -0.3283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4366   -1.5086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8346    1.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5974   -1.3234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6268   -1.4196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7951   -0.6121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9002    1.0949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1936    1.5086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3772   -0.5196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0634    0.9230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8002    0.1104    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 21  1  0  0  0  0 
  3  5  1  0  0  0  0 
  3 11  1  0  0  0  0 
  4 12  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 13  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 13  2  0  0  0  0 
 10 18  1  0  0  0  0 
 11 19  1  0  0  0  0 
 12 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:173988

> <NAME>
Murrayamine A

> <STAR>
2

> <IUPAC_NAME>
3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-9-ol

> <FORMULA>
C18H17NO2

> <MASS>
279.339

> <MONOISOTOPIC_MASS>
279.12593

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C18H17NO2/c1-10-8-14-12-5-4-11(20)9-15(12)19-16(14)13-6-7-18(2,3)21-17(10)13/h4-9,19-20H,1-3H3

> <INCHIKEY>
RIEXGJSQJLHVLX-UHFFFAOYSA-N

$$$$