Marvin  03060622552D          

 12 12  0  0  1  0            999 V2000
   -1.1312   -0.7219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4168   -1.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2977   -0.7219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2977    0.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4168    0.5156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1312    0.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8457   -1.1344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8457    0.5156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0122    0.5156    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7266    0.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4411    0.5156    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0122    1.3406    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  6  1  2  0  0  0  0
  7  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  9  4  1  0  0  0  0
  6  5  1  0  0  0  0
  8  6  1  0  0  0  0
 10  9  1  0  0  0  0
  9 12  1  1  0  0  0
 11 10  1  0  0  0  0
M  END
> <ID>
CHEBI:18357

> <NAME>
(R)-noradrenaline

> <DEFINITION>
The R-enantiomer of noradrenaline.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:1; CHEBI:25592; CHEBI:43725; CHEBI:14668; CHEBI:258884

> <SYNONYM>
Norepinephrine; Noradrenaline; L-NOREPINEPHRINE; L-Noradrenaline; Arterenol; 4-[(1R)-2-Amino-1-hydroxyethyl]-1,2-benzenediol; (R)-norepinephrine; (R)-4-(2-amino-1-hydroxyethyl)-1,2-benzenediol; (R)-(-)-norepinephrine; (-)-norepinephrine; (-)-noradrenaline; (-)-arterenol

> <IUPAC_NAME>
4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol

> <INN>
norepinephrinum; norepinephrine; norepinephrine; norepinefrina

> <FORMULA>
C8H11NO3

> <MASS>
169.17780

> <MONOISOTOPIC_MASS>
169.07389

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1

> <INCHIKEY>
SFLSHLFXELFNJZ-QMMMGPOBSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
4231961

> <CAS_REGISTRY_NUMBER>
51-41-2

> <REAXYS_REGISTRY_NUMBER>
2804840

> <CHEMIDPLUS>
51-41-2

> <DRUGBANK_ACCESSION>
DB00368

> <KEGG_COMPOUND_ACCESSION>
C00547

> <KEGG_DRUG_ACCESSION>
D00076

> <KNAPSACK_ACCESSION>
C00001424

> <PDBECHEM_ACCESSION>
LNR

> <WIKIPEDIA_ACCESSION>
Norepinephrine

$$$$