LMFA07040017
  LIPID_MAPS_STRUCTURE_DATABASE

 10 10  0     0  0            999 V2000
    6.0607    7.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    6.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9266    6.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9266    8.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9266    9.0607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7927    7.5607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7927    6.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6588    6.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5248    6.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3908    6.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0
  4  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  7  1  0  0  0  0
  7  6  1  0  0  0  0
  4  5  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
> <LM_ID>
LMFA07040017

> <COMMON_NAME>
delta-octanolide

> <SYSTEMATIC_NAME>
6-Propyl-tetrahydropyran-2-one

> <FORMULA>
C8H14O2

> <MASS>
142.10

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Lactones [FA0704]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
delta-octalactone

> <INCHI_KEY>
FYTRVXSHONWYNE-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C8H14O2/c1-2-4-7-5-3-6-8(9)10-7/h7H,2-6H2,1H3

> <SMILES>
C1CCC(CCC)OC1=O

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0038310

> <CHEBI_ID>
180286

> <ABBREVIATION>
FA 8:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
12777

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
117577

> <CITATION>
11557075

$$$$