phenylpropanol
  CDK     0222171945

 10 10  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  3  2  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 
  6  7  1  0  0  0  0 
  7  8  2  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
  5 10  1  0  0  0  0 
M  END
> <ID>
CHEBI:31995

> <NAME>
Phenylpropanol

> <STAR>
2

> <SYNONYM>
Phenylpropanol; phenyl ethyl carbinol; phenycholon; alpha-Ethylbenzenemethanol; 1-Phenylpropanol; (RS)-1-Phenylpropan-1-ol

> <FORMULA>
C9H12O; C9H12O

> <MASS>
136.191

> <MONOISOTOPIC_MASS>
136.08882

> <CHARGE>
0

> <SMILES>
CCC(O)C1=CC=CC=C1

> <INCHI>
InChI=1S/C9H12O/c1-2-9(10)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3

> <INCHIKEY>
DYUQAZSOFZSPHD-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
93-54-9

> <KEGG_DRUG_ACCESSION>
D01470

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