LMFA01030983
  LIPID_MAPS_STRUCTURE_DATABASE

 12 11  0  0  0  0            999 V2000
   -2.1444    0.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4296    0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7149    0.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7148    0.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4297    0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1445    0.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8593    0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8593   -0.0007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1444    1.2389    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7161   -1.2389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  9  1  0  0  0  0
  1 10  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
  4 11  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
 11 12  1  0  0  0  0
M  END
> <LM_ID>
LMFA01030983

> <COMMON_NAME>
4-Ethyloctanoic acid

> <SYSTEMATIC_NAME>
4-ethyloctanoic acid

> <FORMULA>
C10H20O2

> <MASS>
172.15

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Unsaturated fatty acids [FA0103]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PWKJMPFEQOHBAC-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C10H20O2/c1-3-5-6-9(4-2)7-8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12)

> <SMILES>
C(=O)(O)CCC(CC)CCCC

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0036136

> <CHEBI_ID>
179551

> <ABBREVIATION>
FA 10:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
61840

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Branched fatty acids [FA0102]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$