LMFA01020131
  LIPID_MAPS_STRUCTURE_DATABASE

 13 12  0  0  0  0  0  0  0  0999 V2000
    5.0000    6.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7145    6.8974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4290    6.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1435    6.8974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8580    6.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5725    6.8974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2870    6.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0015    6.8974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7160    6.4849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0015    7.7224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2870    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8580    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1436    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  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  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
  8 10  2  0  0  0  0
  7 11  1  0  0  0  0
  5 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
> <LM_ID>
LMFA01020131

> <COMMON_NAME>
4-ethyl-2-methyl-2-octenoic acid

> <SYSTEMATIC_NAME>
4-ethyl-2-methyl-2-octenoic acid

> <FORMULA>
C11H20O2

> <MASS>
184.15

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Branched fatty acids [FA0102]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
IELNITCVUCUISP-CMDGGOBGSA-N

> <INCHI>
InChI=1S/C11H20O2/c1-4-6-7-10(5-2)8-9(3)11(12)13/h8,10H,4-7H2,1-3H3,(H,12,13)/b9-8+

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
196484

> <ABBREVIATION>
FA 11:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5282670

> <LIPIDBANK_ID>
DFA7099

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$