LMFA06000253
  LIPID_MAPS_STRUCTURE_DATABASE

 13 12  0  0  0  0  0  0  0  0999 V2000
    5.7145    6.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.8974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4290    6.8974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1435    6.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8580    6.8974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5725    6.4849    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.2870    6.8974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0014    6.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7160    6.8974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7160    7.7224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4303    6.4850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5725    5.6600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2870    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  6 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
> <LM_ID>
LMFA06000253

> <COMMON_NAME>
4-hydroperoxynonenal 

> <SYSTEMATIC_NAME>
4-hydroperoxy-2E-nonenal 

> <FORMULA>
C9H16O3

> <MASS>
172.11

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty aldehydes [FA06]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>
4-HPNE

> <INCHI_KEY>
TVNYLRYVAZWBEH-FNORWQNLSA-N

> <INCHI>
InChI=1S/C9H16O3/c1-2-3-4-6-9(12-11)7-5-8-10/h5,7-9,11H,2-4,6H2,1H3/b7-5+

> <SMILES>
C(CCCC(OO)/C=C/C([H])=O)C

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0060287

> <CHEBI_ID>
171939

> <ABBREVIATION>
FAL 9:1;O2

> <CAYMAN_ID>
10004413

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
6435432

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$