LMFA01020182
  LIPID_MAPS_STRUCTURE_DATABASE

 13 12  0  0  0  0  0  0  0  0999 V2000
   14.2104    6.5796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1089    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2104    7.4105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3052    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3996    6.5796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4940    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5885    6.5796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6830    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7774    6.5796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8718    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9662    6.5796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3996    7.3180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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
  5 13  1  0  0  0  0
M  END
> <LM_ID>
LMFA01020182

> <COMMON_NAME>
3-methyl-decanoic acid

> <SYSTEMATIC_NAME>
3-methyl-decanoic acid

> <FORMULA>
C11H22O2

> <MASS>
186.16

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Branched fatty acids [FA0102]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ZGDHFHMCRRTRAW-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C11H22O2/c1-3-4-5-6-7-8-10(2)9-11(12)13/h10H,3-9H2,1-2H3,(H,12,13)

> <SMILES>
C(CC(C)CCCCCCC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
179399

> <ABBREVIATION>
FA 11:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
143696

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9685

> <CITATION>
42617604

$$$$