Ketcher 01062209502D 1   1.00000     0.00000     0

 12 12  0     0  0            999 V2000
   12.7742   -6.7139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0367   -4.7235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9072   -6.2205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9071   -5.2228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6353   -6.2131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7682   -4.7221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6353   -5.2155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4044   -7.0852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9037   -6.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1395   -7.0802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6388   -6.2097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1381   -5.3392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0     0  0
  1  5  1  0     0  0
  2  4  1  0     0  0
  3  4  1  0     0  0
  3  8  1  0     0  0
  3  9  1  0     0  0
  4  6  1  0     0  0
  5  7  1  0     0  0
  5 10  1  0     0  0
  5 11  1  0     0  0
  6  7  1  0     0  0
 11 12  2  0     0  0
M  END
> <ID>
CHEBI:144708

> <NAME>
linalool oxide pyranoside

> <DEFINITION>
A member of the class of oxanes that is oxane substituted by methyl groups at positions 2,2 and 6, by a hydroxy group at position 3 and by an ethenyl group at position 6.

> <STAR>
3

> <SYNONYM>
tetrahydro-2,2,6-trimethyl-6-vinyl-2H-pyran-3-ol; linalool oxide pyranoid; linalool oxide; FEMA 4593; epoxylinalool; 6-ethenyltetrahydro-2,2,6-trimethyl-2H-pyran-3-ol; 6-ethenyl-2,2,6-trimethyloxan-3-ol; 3-hydroxy-2,2,6-trimethyl-6-vinyltetrahydropyran; 2,6,6-trimethyl-2-vinyl-5-hydroxytetrahydropyran; 2,2-dimethyl-3-hydroxy-6-methyl-6-vinyltetrahydropyran; 2,2,6-trimethyl-6-vinyltetrahydropyran-3-ol; 2,2,6-trimethyl-6-vinyltetrahydro-2H-pyran-3-ol; 2,2,6-trimethyl-6-ethenyltetrahydro-2H-pyran-3-ol

> <IUPAC_NAME>
6-ethenyl-2,2,6-trimethyltetrahydro-2H-pyran-3-ol

> <FORMULA>
C10H18O2

> <MASS>
170.252

> <MONOISOTOPIC_MASS>
170.13068

> <CHARGE>
0

> <SMILES>
CC1(C)OC(C)(CCC1O)C=C

> <INCHI>
InChI=1S/C10H18O2/c1-5-10(4)7-6-8(11)9(2,3)12-10/h5,8,11H,1,6-7H2,2-4H3

> <INCHIKEY>
BCTBAGTXFYWYMW-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
14049-11-7

> <REAXYS_REGISTRY_NUMBER>
117564

> <CHEMIDPLUS>
14049-11-7

> <KNAPSACK_ACCESSION>
C00010325

> <NIST_CHEMISTRY_WEBBOOK>
14049-11-7

> <PUBMED_CITATION>
24922537; 26552398; 33184654; 33467415

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