Marvin  10171213222D          

 15 17  0  0  0  0            999 V2000
    0.2106   -1.9189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9210   -1.5064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5056   -1.5064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9210   -0.6814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5056   -0.6814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3476   -1.5064    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.6257   -1.9189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6371   -0.2689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2274   -0.2689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2274   -1.9189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3476   -0.6814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9321   -0.6814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9321   -1.5064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6478   -0.2710    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0611   -1.9204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  7  2  1  0  0  0  0
  5  3  2  0  0  0  0
 10  3  1  0  0  0  0
  8  4  1  0  0  0  0
  4  5  1  0  0  0  0
  9  5  1  0  0  0  0
  6  7  2  0  0  0  0
 11  6  1  0  0  0  0
  6 15  1  0  0  0  0
  8 11  2  0  0  0  0
 12  9  2  0  0  0  0
 13 10  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
M  CHG  1   6   1
M  END
> <ID>
CHEBI:66637

> <NAME>
nostocarboline

> <DEFINITION>
A member of the class of β-carbolines that is 9H-β-carbolin-2-ium substituted by a chloro group at position 6 and a methyl group at position 2. It is isolated from a fresh water cyanobacterium Nostoc 78-12A and acts as an inhibitor of butyrylcholinesterase.

> <STAR>
3

> <IUPAC_NAME>
6-chloro-2-methyl-9H-beta-carbolin-2-ium

> <FORMULA>
C12H10ClN2

> <MASS>
217.67400

> <MONOISOTOPIC_MASS>
217.05270

> <CHARGE>
1

> <SMILES>
C[n+]1ccc2c(c1)[nH]c1ccc(Cl)cc21

> <INCHI>
InChI=1S/C12H9ClN2/c1-15-5-4-9-10-6-8(13)2-3-11(10)14-12(9)7-15/h2-7H,1H3/p+1

> <INCHIKEY>
RGQUDRQSJYJYAQ-UHFFFAOYSA-O

> <REAXYS_REGISTRY_NUMBER>
10261248

> <PUBMED_CITATION>
16378379; 16468755; 20714150; 21797171; 22289366

$$$$