CDK     1018121543

 24 27  0  0  0  0  0  0  0  0999 V2000
   -0.6791    0.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1624    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1624    1.3373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9498    1.0791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417    0.7457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9498    0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4874    1.4998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8249    2.0915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5666    0.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6622    1.4956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6622   -0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3704    1.0791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3915    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0372    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4250    2.8789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3704    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7873    0.7666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8081   -0.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6330   -0.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6080    0.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0870    1.4915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8621    0.0833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2499    2.8622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0 
  3  1  2  0  0  0  0 
  4  3  1  0  0  0  0 
  5  1  1  0  0  0  0 
  6  2  1  0  0  0  0 
  7  5  2  0  0  0  0 
  8  9  2  0  0  0  0 
  9  3  1  0  0  0  0 
 10  5  1  0  0  0  0 
 11  4  1  0  0  0  0 
 12  6  1  0  0  0  0 
 13 11  2  0  0  0  0 
 14 10  1  0  0  0  0 
 15 21  1  0  0  0  0 
 16  8  1  0  0  0  0 
 17 12  2  0  0  0  0 
 18 14  1  0  0  0  0 
 19 14  2  0  0  0  0 
 20 19  1  0  0  0  0 
 21 18  2  0  0  0  0 
 22 13  1  0  0  0  0 
 23 15  1  0  0  0  0 
 24 16  1  0  0  0  0 
  6  4  2  0  0  0  0 
  8  7  1  0  0  0  0 
 17 13  1  0  0  0  0 
 15 20  2  0  0  0  0 
M  END
> <ID>
CHEBI:69067

> <NAME>
daibucarboline A

> <DEFINITION>
A natural product found in Neolitsea daibuensis. 

> <STAR>
2

> <SYNONYM>
1-(4-hydroxybenzyl)-3-methoxy-9H-pyrido[3,4-b]indol-6-ol

> <FORMULA>
C19H16N2O3

> <MASS>
320.34190

> <MONOISOTOPIC_MASS>
320.11609

> <CHARGE>
0

> <SMILES>
COc1cc2c3cc(O)ccc3[nH]c2c(Cc2ccc(O)cc2)n1

> <INCHI>
InChI=1S/C19H16N2O3/c1-24-18-10-15-14-9-13(23)6-7-16(14)21-19(15)17(20-18)8-11-2-4-12(22)5-3-11/h2-7,9-10,21-23H,8H2,1H3

> <INCHIKEY>
JKRLKWREOILLPH-UHFFFAOYSA-N

> <PUBMED_CITATION>
22148193

$$$$