LMFA01020458
  LIPID_MAPS_STRUCTURE_DATABASE

 12 11  0  0  0  0  0  0  0  0999 V2000
   13.8584   -4.5974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7208   -5.0952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8584   -3.6014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9895   -5.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1203   -4.5974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2511   -5.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3819   -4.5974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5127   -5.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9896   -6.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1236   -6.5953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2511   -6.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3851   -6.5952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0     0  0
  1  3  2  0     0  0
  1  4  1  0     0  0
  4  5  2  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  4  9  1  0     0  0
  9 10  1  0     0  0
  6 11  1  0     0  0
 11 12  1  0     0  0
M  END
> <LM_ID>
LMFA01020458

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
2,4-diethylhex-2E-enoic acid

> <FORMULA>
C10H18O2

> <MASS>
170.13

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Branched fatty acids [FA0102]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
DBRXFVOJILHXNE-VQHVLOKHSA-N

> <INCHI>
InChI=1S/C10H18O2/c1-4-8(5-2)7-9(6-3)10(11)12/h7-8H,4-6H2,1-3H3,(H,11,12)/b9-7+

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 10:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
-

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9685

> <CITATION>
42617604

$$$$