Marvin  05110611012D          

  9  9  0  0  1  0            999 V2000
   -0.7145   -0.4125    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
   -0.7145    0.4125    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
    0.7145    0.4125    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
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  6  3  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  2  0  0  0  0
  6  8  1  0  0  0  0
  8  7  1  6  0  0  0
  8  9  1  0  0  0  0
M  END
> <ID>
CHEBI:45616

> <NAME>
(R)-1-phenylethanol

> <DEFINITION>
The (R)-enantiomer of 1-phenylethanol.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:35670; CHEBI:45839; CHEBI:45612

> <SYNONYM>
(R)-alpha-methylbenzyl alcohol; (R)-alpha-methylbenzenemethanol; (R)-1-phenylethanol; (1R)-1-PHENYLETHANOL

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

> <FORMULA>
C8H10O

> <MASS>
122.16440

> <MONOISOTOPIC_MASS>
122.07316

> <CHARGE>
0

> <SMILES>
C[C@@H](O)c1ccccc1

> <INCHI>
InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-/m1/s1

> <INCHIKEY>
WAPNOHKVXSQRPX-SSDOTTSWSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
3648469

> <CAS_REGISTRY_NUMBER>
1517-69-7

> <GMELIN_REGISTRY_NUMBER>
601508

> <CHEMIDPLUS>
1517-69-7

> <DRUGBANK_ACCESSION>
DB04784

> <NIST_CHEMISTRY_WEBBOOK>
1517-69-7

> <PDBECHEM_ACCESSION>
SS2

> <PUBMED_CITATION>
21486009

$$$$