LMFA01140112
  LIPID_MAPS_STRUCTURE_DATABASE

 20 20  0     0  0            999 V2000
   -0.4395   -0.2538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4395   -0.7612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4395    0.7612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3249   -0.7612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2107   -0.2538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0965   -0.7612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9824   -0.2538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8682   -0.7612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7540   -0.2538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6398   -0.7612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5257   -0.2538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4115   -0.7612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2972   -0.2538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1831   -0.7612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0689   -0.2538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9547   -0.2538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8405   -0.7612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7264   -0.2538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6122   -0.7612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5118    0.5133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  4  5  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
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 15 20  1  0     0  0
 16 20  1  0     0  0
M  END
> <LM_ID>
LMFA01140112

> <COMMON_NAME>
cis-13,14-methylene-heptadecanoic acid

> <SYSTEMATIC_NAME>
cis-13,14-methylene-heptadecanoic acid

> <FORMULA>
C18H34O2

> <MASS>
282.26

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Carbocyclic fatty acids [FA0114]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
cis-13,14 MHD

> <INCHI_KEY>
BJUOWJHYDRAYTQ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H34O2/c1-2-12-16-15-17(16)13-10-8-6-4-3-5-7-9-11-14-18(19)20/h16-17H,2-15H2,1H3,(H,19,20)

> <SMILES>
C(CCCCCCCCCCCC1CC1CCC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 18:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
-

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9823

> <CITATION>
39182606

$$$$