LMFA01080020
  LIPID_MAPS_STRUCTURE_DATABASE

 18 17  0     0  0            999 V2000
    5.2136    0.5012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0753    0.0038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2136    1.4964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3457    0.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4772    0.5012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6088    0.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7404    0.5012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8718    0.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0034    0.5012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8649    0.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7335    0.5012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6020    0.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4700    0.5012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3385    0.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2071    0.5012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0753    0.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3457   -0.9962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2957   -1.5962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0     0  0
  1  3  2  0     0  0
  1  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
  4 17  1  0     0  0
 17 18  1  0     0  0
M  END
> <LM_ID>
LMFA01080020

> <COMMON_NAME>
2-methoxytetradecanoic acid

> <SYSTEMATIC_NAME>
2-methoxy-tetradecanoic acid

> <FORMULA>
C15H30O3

> <MASS>
258.22

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Methoxy fatty acids [FA0108]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
2-Methoxymyristic acid; 2-methoxytetra-decanoic acid

> <INCHI_KEY>
SVEUDKQPMQGCGQ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C15H30O3/c1-3-4-5-6-7-8-9-10-11-12-13-14(18-2)15(16)17/h14H,3-13H2,1-2H3,(H,16,17)

> <SMILES>
C(C(OC)CCCCCCCCCCCC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 15:0;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
611552

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
469326

> <CITATION>
12169299

$$$$