LMFA01080021
  LIPID_MAPS_STRUCTURE_DATABASE

 14 13  0     0  0            999 V2000
    3.4776    0.5013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3395    0.0038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4776    1.4966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6094    0.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7407    0.5013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8722    0.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0036    0.5013    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
   -1.7336    0.5013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6022    0.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4708    0.5013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3395    0.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6094   -0.9961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4762   -1.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 13 14  1  0     0  0
  4 13  1  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
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  13  14
M  SBL   1  1   2
M  SMT   1 OCH3
M  END
> <LM_ID>
LMFA01080021

> <COMMON_NAME>
2-methoxydecanoic acid

> <SYSTEMATIC_NAME>
2-methoxy-decanoic acid

> <FORMULA>
C11H22O3

> <MASS>
202.16

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Methoxy fatty acids [FA0108]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Decanoic acid, 2-methoxy; 

> <INCHI_KEY>
WMKSSGPYLVBYJC-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C11H22O3/c1-3-4-5-6-7-8-9-10(14-2)11(12)13/h10H,3-9H2,1-2H3,(H,12,13)

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 11:0;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
549854

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630

> <CITATION>
18023422

$$$$