Ketcher 05052312262D 1   1.00000     0.00000     0

 14 14  0     0  0            999 V2000
   16.9335   -7.2430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9851   -6.9268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1787   -7.5117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6845   -5.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3724   -6.9110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6886   -5.9546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5121   -7.4110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6464   -6.9077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7861   -7.4077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9205   -6.9047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0601   -7.4046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1945   -6.9015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3341   -7.4014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4685   -6.8983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0     0  0
  2  3  1  0     0  0
  2  4  1  0     0  0
  3  5  1  0     0  0
  4  6  1  0     0  0
  5  6  1  0     0  0
  5  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
M  END
> <ID>
CHEBI:143727

> <NAME>
gamma-dodecalactone

> <DEFINITION>
A γ-lactone that is oxolan-2-one substituted by an octyl group at position 5.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:171837

> <SYNONYM>
xi-dihydro-5-octyl-2(3H)-furanone; gamma-octyl-gamma-butyrolactone; gamma-laurolactone; gamma-dodecanolactone; gamma-dodecalactone; dihydro-5-octyl-2(3H)-furanone; 5-octyltetrahydro-2-furanone; 5-octyloxolan-2-one; 4-hydroxydodecanoic acid lactone; 4-hydroxydodecanoic acid gamma-lactone; 4-dodecanolide

> <IUPAC_NAME>
5-octyldihydrofuran-2(3H)-one

> <FORMULA>
C12H22O2

> <MASS>
198.306

> <MONOISOTOPIC_MASS>
198.16198

> <CHARGE>
0

> <SMILES>
CCCCCCCCC1CCC(=O)O1

> <INCHI>
InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-11-9-10-12(13)14-11/h11H,2-10H2,1H3

> <INCHIKEY>
WGPCZPLRVAWXPW-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
2305-05-7

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA07040042

> <NIST_CHEMISTRY_WEBBOOK>
2305-05-7

> <AGRICOLA_CITATION>
IND23271475; IND84001504; IND85055669

> <PUBMED_CITATION>
20708940; 25653784; 30506254

$$$$