11280714452D 1   1.00000     0.00000     0

 13 15  0     0  0            999 V2000
    0.9125   -1.1667    0.0000 N   0  0  0  0  0  0           0  0  0
    1.4292   -0.8667    0.0000 C   0  0  0  0  0  0           0  0  0
    0.3917   -0.8667    0.0000 C   0  0  0  0  0  0           0  0  0
    1.4292   -0.2667    0.0000 C   0  0  0  0  0  0           0  0  0
    0.3917   -0.2667    0.0000 C   0  0  0  0  0  0           0  0  0
    2.4667   -0.8667    0.0000 N   0  0  0  0  0  0           0  0  0
    1.9417   -1.1667    0.0000 C   0  0  0  0  0  0           0  0  0
    1.9500    0.0333    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.1333    0.0333    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.1333   -1.1667    0.0000 C   0  0  0  0  0  0           0  0  0
    2.4667   -0.2667    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.6458   -0.2667    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.6458   -0.8667    0.0000 C   0  0  0  0  0  0           0  0  0
  2  1  1  0     0  0
  3  1  1  0     0  0
  4  2  2  0     0  0
  5  3  2  0     0  0
  6  7  2  0     0  0
  7  2  1  0     0  0
  8  4  1  0     0  0
  9  5  1  0     0  0
 10  3  1  0     0  0
 11  6  1  0     0  0
 12 13  1  0     0  0
 13 10  2  0     0  0
  4  5  1  0     0  0
 12  9  2  0     0  0
  8 11  2  0     0  0
M  END
> <ID>
CHEBI:109895

> <NAME>
beta-carboline

> <DEFINITION>
The parent compound of the β-carbolines, a tricyclic structure comprising an indole ring system ortho- fused to C-3 and C-4 of a pyridine ring.

> <STAR>
3

> <SYNONYM>
Norharmane; Norharman; Carbazoline; beta-carboline; 9H-pyrido[3,4-b]indole; 9H-Pyrido(3,4-B)indole; 9H-beta-Carboline; 2-Azacarbazole; 2,9-Diazafluorene

> <IUPAC_NAME>
9H-beta-carboline

> <FORMULA>
C11H8N2

> <MASS>
168.19460

> <MONOISOTOPIC_MASS>
168.06875

> <CHARGE>
0

> <SMILES>
c1ccc2c(c1)[nH]c1cnccc21

> <INCHI>
InChI=1S/C11H8N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-7,13H

> <INCHIKEY>
AIFRHYZBTHREPW-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
128414

> <CAS_REGISTRY_NUMBER>
244-63-3

> <REAXYS_REGISTRY_NUMBER>
128414

> <CHEMIDPLUS>
244-63-3

> <KEGG_COMPOUND_ACCESSION>
C20157

> <LINCS_ACCESSION>
LSM-19021

> <METACYC_ACCESSION>
CPD-15304

> <NIST_CHEMISTRY_WEBBOOK>
244-63-3

> <PDBECHEM_ACCESSION>
NRH

> <WIKIPEDIA_ACCESSION>
Beta-Carboline

> <PUBMED_CITATION>
23600147; 8070089

$$$$