Ketcher 01122314032D 1   1.00000     0.00000     0

 13 14  0     1  0            999 V2000
   11.3731  -11.8464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5071  -11.3465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5071  -10.3464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3731   -9.8464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2390  -10.3464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2390  -11.3465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6411  -11.8464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6411   -9.8464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1053  -11.8464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9713  -11.3465    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9713  -10.3464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1053   -9.8464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1053  -12.8464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0     0  0
  3  2  1  0     0  0
  4  3  2  0     0  0
  5  4  1  0     0  0
  6  5  2  0     0  0
  6  1  1  0     0  0
  7  2  1  0     0  0
  8  3  1  0     0  0
  9  6  1  0     0  0
 10  9  1  0     0  0
 11 10  1  0     0  0
 12 11  1  0     0  0
 12  5  1  0     0  0
  9 13  1  6     0  0
M  END
> <ID>
CHEBI:88801

> <NAME>
(R)-salsolinol

> <DEFINITION>
A 1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol that has R-configuration.

> <STAR>
3

> <SYNONYM>
(R)-SAL; (R)-1-methyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline; (R)-1,2,3,4-tetrahydro-1-methyl-6,7-isoquinolinediol; (R)-(+)-salsolinol; (+)-salsolinol; (+)-(R)-salsolinol

> <IUPAC_NAME>
(1R)-1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol

> <FORMULA>
C10H13NO2

> <MASS>
179.219

> <MONOISOTOPIC_MASS>
179.09463

> <CHARGE>
0

> <SMILES>
C[C@H]1NCCC2=C1C=C(O)C(O)=C2

> <INCHI>
InChI=1S/C10H13NO2/c1-6-8-5-10(13)9(12)4-7(8)2-3-11-6/h4-6,11-13H,2-3H2,1H3/t6-/m1/s1

> <INCHIKEY>
IBRKLUSXDYATLG-ZCFIWIBFSA-N

> <CAS_REGISTRY_NUMBER>
53622-83-6

> <CHEMIDPLUS>
53622-83-6

> <PUBMED_CITATION>
10656535; 11722700; 12200189; 14697894; 14978525; 1629715; 18238832; 19034892; 26032572; 26735443; 28420969; 29662355; 30920734; 35547657; 7760044; 8050034; 8651468; 9202326; 9275315

$$$$