Marvin  07160812202D          

 11 10  0  0  0  0            999 V2000
   -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
    0.7145   -0.4125    0.0000 C   0  0  3  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
   -2.1434   -0.4125    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
    1.4289    0.8250    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
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    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  2  2  0  0  0  0
  3 11  1  0  0  0  0
  4  3  1  0  0  0  0
  2  4  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  6  1  0  0  0  0
  8  1  1  0  0  0  0
  9  6  2  0  0  0  0
 11 10  1  0  0  0  0
M  END
> <ID>
CHEBI:50281

> <NAME>
lavandulol

> <DEFINITION>
A monoterpenoid alcohol that is hepta-1-5-diene which is substituted at positions 2 and 6 by methyl groups and at position 3 by a hydroxymethyl group. It is commonly found in lavender oil.

> <STAR>
3

> <SYNONYM>
lavandulol; 5-methyl-2-(1-methylethenyl)hex-4-en-1-ol

> <IUPAC_NAME>
5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-ol

> <FORMULA>
C10H18O

> <MASS>
154.24932

> <MONOISOTOPIC_MASS>
154.13577

> <CHARGE>
0

> <SMILES>
CC(C)=CCC(CO)C(C)=C

> <INCHI>
InChI=1S/C10H18O/c1-8(2)5-6-10(7-11)9(3)4/h5,10-11H,3,6-7H2,1-2,4H3

> <INCHIKEY>
CZVXBFUKBZRMKR-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
498-16-8

> <REAXYS_REGISTRY_NUMBER>
1758907

> <NIST_CHEMISTRY_WEBBOOK>
498-16-8

> <WIKIPEDIA_ACCESSION>
Lavandulol

> <PUBMED_CITATION>
11504023; 11809456; 17193200

$$$$