LMFA12000162
  LIPID_MAPS_STRUCTURE_DATABASE

 13 12  0  0  0  0  0  0  0  0999 V2000
   13.0709    5.6680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3373    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6036    5.6678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8699    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1361    5.6678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4024    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6686    5.6678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9349    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2012    5.6678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4675    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7337    5.6678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6036    6.2662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  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
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  3 13  2  0  0  0  0
M  END
> <LM_ID>
LMFA12000162

> <COMMON_NAME>
1-Dodecen-3-one

> <SYSTEMATIC_NAME>
1-Dodecen-3-one

> <FORMULA>
C12H22O

> <MASS>
182.17

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Oxygenated hydrocarbons [FA12]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
HFIPGXZCEJXIAM-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C12H22O/c1-3-5-6-7-8-9-10-11-12(13)4-2/h4H,2-3,5-11H2,1H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
12804418

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$