6950649
  CDK     0217211617

 11 11  0  0  0  0  0  0  0  0999 V2000
    1.6500    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0790    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  1  0  0  0 
  2  4  1  0  0  0  0 
  2 10  1  0  0  0  0 
  3  4  1  0  0  0  0 
  3  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  5  7  1  0  0  0  0 
  6  8  1  0  0  0  0 
  7  9  2  0  0  0  0 
  8 11  2  0  0  0  0 
  9 11  1  0  0  0  0 
M  END
> <ID>
CHEBI:167510

> <NAME>
Halostachine

> <STAR>
2

> <IUPAC_NAME>
(1R)-2-(methylamino)-1-phenylethanol

> <FORMULA>
C9H13NO

> <MASS>
151.209

> <MONOISOTOPIC_MASS>
151.09971

> <CHARGE>
0

> <SMILES>
O[C@@H](CNC)C1=CC=CC=C1

> <INCHI>
InChI=1S/C9H13NO/c1-10-7-9(11)8-5-3-2-4-6-8/h2-6,9-11H,7H2,1H3/t9-/m0/s1

> <INCHIKEY>
ZCTYHONEGJTYQV-VIFPVBQESA-N

> <CAS_REGISTRY_NUMBER>
495-42-1

> <CHEMIDPLUS>
495-42-1

> <KEGG_COMPOUND_ACCESSION>
C03711

$$$$