LMFA01030019
  LIPID_MAPS_STRUCTURE_DATABASE

 10  9  0  0  0  0  0  0  0  0999 V2000
    9.3973    5.2476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1118    5.6601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8263    5.2476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1118    6.4851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6829    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8579    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4290    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7145    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.6600    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
  2  4  2  0  0  0  0
  1  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
M  END
> <LM_ID>
LMFA01030019

> <COMMON_NAME>
cis-beta-octenoic acid

> <SYSTEMATIC_NAME>
3Z-octenoic acid

> <FORMULA>
C8H14O2

> <MASS>
142.10

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Unsaturated fatty acids [FA0103]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
cis-3-octenoic acid; C8:1n-5

> <INCHI_KEY>
IWPOSDLLFZKGOW-WAYWQWQTSA-N

> <INCHI>
InChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h5-6H,2-4,7H2,1H3,(H,9,10)/b6-5-

> <SMILES>
C(/C=C\CCCC)C(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
180314

> <ABBREVIATION>
FA 8:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5282715

> <LIPIDBANK_ID>
DFA0058

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$