LMFA01030027
  LIPID_MAPS_STRUCTURE_DATABASE

 11 10  0  0  0  0  0  0  0  0999 V2000
    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
    6.4290    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
    7.8579    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5724    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2869    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0013    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7158    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4303    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7158    6.4850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  1  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
 10  9  1  0  0  0  0
  9 11  2  0  0  0  0
M  END
> <LM_ID>
LMFA01030027

> <COMMON_NAME>
beta-nonylenic acid

> <SYSTEMATIC_NAME>
3-nonenoic acid

> <FORMULA>
C9H16O2

> <MASS>
156.12

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Unsaturated fatty acids [FA0103]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
3-nonylenic acid; C9:1n-6

> <INCHI_KEY>
ZBPYTVBKHKUNHG-VOTSOKGWSA-N

> <INCHI>
InChI=1S/C9H16O2/c1-2-3-4-5-6-7-8-9(10)11/h6-7H,2-5,8H2,1H3,(H,10,11)/b7-6+

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
195760

> <ABBREVIATION>
FA 9:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5282723

> <LIPIDBANK_ID>
DFA0066

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$