LMFA01030018
  LIPID_MAPS_STRUCTURE_DATABASE

 10  9  0  0  0  0  0  0  0  0999 V2000
    7.1432    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8577    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5722    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2867    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0013    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7158    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0013    6.4850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4288    5.2476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7144    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.2476    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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  5  7  2  0  0  0  0
  1  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
> <LM_ID>
LMFA01030018

> <COMMON_NAME>
trans-alpha-octenoic acid

> <SYSTEMATIC_NAME>
2E-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>
trans-2-octenoic acid; C8:1n-6

> <INCHI_KEY>
CWMPPVPFLSZGCY-VOTSOKGWSA-N

> <INCHI>
InChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h6-7H,2-5H2,1H3,(H,9,10)/b7-6+

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0001568

> <CHEBI_ID>
86544

> <ABBREVIATION>
FA 8:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5282714

> <LIPIDBANK_ID>
DFA0057

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$