CDK     1018121544

 17 19  0  0  0  0  0  0  0  0999 V2000
    7.3375   -6.6375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5542   -6.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5750   -5.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3625   -5.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8333   -5.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8333   -6.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8708   -5.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1208   -6.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1458   -5.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4625   -4.2583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4417   -5.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8125   -7.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7083   -4.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6583   -5.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0875   -7.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5292   -4.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0125   -5.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0 
  3  2  2  0  0  0  0 
  4  5  2  0  0  0  0 
  5  1  1  0  0  0  0 
  6  2  1  0  0  0  0 
  7  3  1  0  0  0  0 
  8  6  2  0  0  0  0 
  9  8  1  0  0  0  0 
 10 11  2  0  0  0  0 
 11  9  1  0  0  0  0 
 12  6  1  0  0  0  0 
 13  4  1  0  0  0  0 
 14  5  1  0  0  0  0 
 15 12  1  0  0  0  0 
 16 17  1  0  0  0  0 
 17 14  2  0  0  0  0 
  3  4  1  0  0  0  0 
  9  7  2  0  0  0  0 
 13 16  2  0  0  0  0 
M  END
> <ID>
CHEBI:69934

> <NAME>
Murrayanine

> <DEFINITION>
A natural product found in Clausena harmandiana. 

> <STAR>
2

> <SECONDARY_ID>
CHEBI:7028

> <SYNONYM>
Murrayanine; 9H-Carbazole-3-carboxaldehyde, 1-methoxy-; 1-Methoxy-9H-carbazole-3-carboxaldehyde

> <FORMULA>
C14H11NO2; C14H11NO2

> <MASS>
225.24260

> <MONOISOTOPIC_MASS>
225.07898

> <CHARGE>
0

> <SMILES>
COc1cc(C=O)cc2c3ccccc3[nH]c12

> <INCHI>
InChI=1S/C14H11NO2/c1-17-13-7-9(8-16)6-11-10-4-2-3-5-12(10)15-14(11)13/h2-8,15H,1H3

> <INCHIKEY>
FWNZQNAJETXQPP-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
723-97-7

> <CHEMIDPLUS>
723-97-7

> <KEGG_COMPOUND_ACCESSION>
C09228

> <KNAPSACK_ACCESSION>
C00001753

> <PUBMED_CITATION>
21302964

$$$$