Marvin  11220715082D          

 11 11  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
    0.7145    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
    0.0000   -0.8250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0001   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7144   -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  3  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  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  2  2  0  0  0  0
  7  5  1  0  0  0  0
  6  3  1  0  0  0  0
  6  1  1  0  0  0  0
  6 10  1  0  0  0  0
  8 10  1  0  0  0  0
 10  9  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <ID>
CHEBI:22469

> <NAME>
alpha-terpineol

> <DEFINITION>
A terpineol that is propan-2-ol substituted by a 4-methylcyclohex-3-en-1-yl group at position 2.

> <STAR>
3

> <SYNONYM>
alpha-terpineol; alpha,alpha,4-trimethyl-3-cyclohexene-1-methanol; 2-(4-methyl-3-cyclohexenyl)-2-propanol; 1-methyl-4-isopropyl-1-cyclohexene-8-ol; 1-methyl-4-isopropyl-1-cyclohexen-8-ol; 1-menthene-8-ol; 1-alpha-terpineol

> <IUPAC_NAME>
p-menth-1-en-8-ol; 2-(4-methylcyclohex-3-en-1-yl)propan-2-ol

> <FORMULA>
C10H18O

> <MASS>
154.24932

> <MONOISOTOPIC_MASS>
154.13577

> <CHARGE>
0

> <SMILES>
CC1=CCC(CC1)C(C)(C)O

> <INCHI>
InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3

> <INCHIKEY>
WUOACPNHFRMFPN-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1906604

> <CAS_REGISTRY_NUMBER>
98-55-5

> <GMELIN_REGISTRY_NUMBER>
406992

> <REAXYS_REGISTRY_NUMBER>
1906604

> <CHEMIDPLUS>
98-55-5

> <KEGG_COMPOUND_ACCESSION>
C16772

> <KNAPSACK_ACCESSION>
C00029674

> <NIST_CHEMISTRY_WEBBOOK>
98-55-5

> <PUBMED_CITATION>
16356517

$$$$