Marvin  11220714432D          

 12 12  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  1  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
   -0.7145   -1.2375    0.0000 H   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
  6 12  1  1  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:300

> <NAME>
(R)-(+)-alpha-terpineol

> <DEFINITION>
The (4R)-stereoiosmer of α-terpineol.

> <STAR>
3

> <SYNONYM>
(R)-alpha-terpineol; (R)-alpha,alpha,4-trimethylcyclohex-3-ene-1-methanol; (R)-(+)-alpha-Terpineol; (1R)-alpha,alpha,4-trimethyl-3-cyclohexene-1-methanol; (+)-p-menth-1-en-8-ol

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

> <FORMULA>
C10H18O

> <MASS>
154.24932

> <MONOISOTOPIC_MASS>
154.13577

> <CHARGE>
0

> <SMILES>
[H][C@]1(CCC(C)=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/t9-/m0/s1

> <INCHIKEY>
WUOACPNHFRMFPN-VIFPVBQESA-N

> <BEILSTEIN_REGISTRY_NUMBER>
5729447

> <CAS_REGISTRY_NUMBER>
7785-53-7

> <REAXYS_REGISTRY_NUMBER>
2041428

> <CHEMIDPLUS>
7785-53-7

> <KEGG_COMPOUND_ACCESSION>
C09902

> <KNAPSACK_ACCESSION>
C00029674

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPR0102090028

$$$$