CDK     1018121545

 21 24  0  0  0  0  0  0  0  0999 V2000
    6.7125   -6.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4250   -5.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1375   -6.3958    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4250   -5.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9958   -5.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7125   -7.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8708   -5.9917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9958   -5.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4250   -7.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1375   -7.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7083   -4.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8708   -5.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2833   -6.3958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2833   -4.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1458   -4.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0083   -7.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4250   -8.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5666   -5.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0083   -8.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7208   -8.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8458   -6.8042    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  7  3  1  0  0  0  0 
  8  5  2  0  0  0  0 
  9  6  2  0  0  0  0 
 10  9  1  0  0  0  0 
 11  8  1  0  0  0  0 
 12 15  1  0  0  0  0 
 13  5  1  0  0  0  0 
 14  8  1  0  0  0  0 
 15  4  1  0  0  0  0 
 16  6  1  0  0  0  0 
 17  9  1  0  0  0  0 
 18 13  1  0  0  0  0 
 19 16  2  0  0  0  0 
 20 19  1  0  0  0  0 
  3 21  1  1  0  0  0 
 10  3  1  0  0  0  0 
 11  4  2  0  0  0  0 
 17 20  2  0  0  0  0 
 12  7  1  0  0  0  0 
  2  1  2  0  0  0  0 
  3  2  1  0  0  0  0 
  4  2  1  0  0  0  0 
  5  1  1  0  0  0  0 
  6  1  1  0  0  0  0 
M  END
> <ID>
CHEBI:70637

> <NAME>
R-(-)-asimilobine

> <DEFINITION>
A natural product found in Annona glabra. 

> <STAR>
2

> <SYNONYM>
(-)-(8R)-1-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2-ol

> <FORMULA>
C17H17NO2

> <MASS>
267.32240

> <MONOISOTOPIC_MASS>
267.12593

> <CHARGE>
0

> <SMILES>
[H][C@]12Cc3ccccc3-c3c(OC)c(O)cc(CCN1)c23

> <INCHI>
InChI=1S/C17H17NO2/c1-20-17-14(19)9-11-6-7-18-13-8-10-4-2-3-5-12(10)16(17)15(11)13/h2-5,9,13,18-19H,6-8H2,1H3/t13-/m1/s1

> <INCHIKEY>
NBDNEUOVIJYCGZ-CYBMUJFWSA-N

> <CAS_REGISTRY_NUMBER>
6871-21-2

> <CHEMIDPLUS>
6871-21-2

$$$$