Ketcher 08181510222D 1   1.00000     0.00000     0

 11 10  0     0  0            999 V2000
   16.9512   -5.9872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1018   -5.4970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2525   -5.9872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4033   -5.4970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5540   -5.9873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7047   -5.4969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8554   -5.9872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0061   -5.4969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8555   -6.9679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7872   -6.4746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2525   -6.9679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0     0  0
  3  2  1  0     0  0
  4  3  1  0     0  0
  5  4  1  0     0  0
  6  5  1  0     0  0
  7  6  1  0     0  0
  7  8  1  0     0  0
  7  9  1  0     0  0
  7 10  1  0     0  0
  3 11  2  0     0  0
M  END
> <ID>
CHEBI:87529

> <NAME>
myrcenol

> <DEFINITION>
A monoterpenoid that is oct-7-en-2-ol substituted by a methyl group at position 2 and a methylidene group at position 6 respectively.

> <STAR>
3

> <IUPAC_NAME>
2-methyl-6-methylideneoct-7-en-2-ol

> <FORMULA>
C10H18O

> <MASS>
154.24930

> <MONOISOTOPIC_MASS>
154.13577

> <CHARGE>
0

> <SMILES>
CC(C)(O)CCCC(=C)C=C

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

> <INCHIKEY>
DUNCVNHORHNONW-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
543-39-5

> <REAXYS_REGISTRY_NUMBER>
1744474

> <CHEMIDPLUS>
543-39-5

> <NIST_CHEMISTRY_WEBBOOK>
543-39-5

> <PUBMED_CITATION>
18640191; 24305835; 25221621

$$$$