13 13  0  0  1  0  0  0  0  0999 V2000
   25.6151  -15.7852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6151  -17.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3981  -15.0863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.8206  -15.0863    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   24.3981  -17.9105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1868  -15.7852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.0317  -15.7794    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   26.8206  -13.6887    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.1868  -17.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.2312  -15.0806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9756  -17.8872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.9671  -17.1726    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.9804  -15.0884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0     0  0
  1  3  1  0     0  0
  1  4  1  0     0  0
  2  5  1  0     0  0
  3  6  2  0     0  0
  4  7  1  0     0  0
  4  8  1  1     0  0
  5  9  2  0     0  0
  7 10  1  0     0  0
  9 11  1  0     0  0
  6  9  1  0     0  0
  7 12  1  6     0  0
  6 13  1  0     0  0
M  END
> <ID>
CHEBI:10304

> <NAME>
(-)-alpha-Methylnoradrenaline

> <STAR>
2

> <SYNONYM>
Levonordefrin; levoepinefrina; alpha-Methylnoradrenaline; alpha-Methylnoradrenaline; (-)-alpha-(1-Aminoethyl)-3,4-dihydroxybenzyl alcohol

> <FORMULA>
C9H13NO3

> <MASS>
183.205

> <MONOISOTOPIC_MASS>
183.08954

> <CHARGE>
0

> <SMILES>
C[C@H](N)[C@H](O)c1ccc(O)c(O)c1

> <INCHI>
InChI=1S/C9H13NO3/c1-5(10)9(13)6-2-3-7(11)8(12)4-6/h2-5,9,11-13H,10H2,1H3/t5-,9-/m0/s1

> <INCHIKEY>
GEFQWZLICWMTKF-CDUCUWFYSA-N

> <CAS_REGISTRY_NUMBER>
829-74-3

> <KEGG_COMPOUND_ACCESSION>
C11768

> <KEGG_DRUG_ACCESSION>
D02388

> <LINCS_ACCESSION>
LSM-6525

$$$$