Marvin  04230723122D          

 12 13  0  0  0  0            999 V2000
    0.0000    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7 10  1  0  0  0  0
  8 10  2  0  0  0  0
  9  7  2  0  0  0  0
  1  8  1  0  0  0  0
  2  9  1  0  0  0  0
  2  1  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
> <ID>
CHEBI:27615

> <NAME>
(2-naphthyl)methanol

> <DEFINITION>
A naphthylmethanol that is methanol in which one of the methyl hydrogens has been replaced by a (2-naphthyl) group.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:173; CHEBI:18528; CHEBI:19650

> <SYNONYM>
naphthalen-2-yl-methanol; 2-Naphthalenemethanol; 2-Hydroxymethylnaphthalene; (2-Naphthyl)methanol

> <IUPAC_NAME>
2-naphthylmethanol; (naphthalen-2-yl)methanol

> <FORMULA>
C11H10O

> <MASS>
158.19650

> <MONOISOTOPIC_MASS>
158.07316

> <CHARGE>
0

> <SMILES>
OCc1ccc2ccccc2c1

> <INCHI>
InChI=1S/C11H10O/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7,12H,8H2

> <INCHIKEY>
MFGWMAAZYZSWMY-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
1592-38-7

> <REAXYS_REGISTRY_NUMBER>
1859410

> <CHEMIDPLUS>
1592-38-7

> <KEGG_COMPOUND_ACCESSION>
C02909

> <NIST_CHEMISTRY_WEBBOOK>
1592-38-7

> <PDBECHEM_ACCESSION>
2NA

> <PUBMED_CITATION>
11112585; 2865100; 6137337; 6696408

$$$$