LMFA01020247
  LIPID_MAPS_STRUCTURE_DATABASE

 12 11  0  0  0  0  0  0  0  0999 V2000
   11.0001    6.0416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7443    5.6118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0001    6.7298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2504    5.6118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5003    6.0416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7503    5.6118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0002    6.0416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2502    5.6118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5001    6.0416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7501    5.6118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.0416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7501    5.0000    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
 10 12  1  0  0  0  0
M  END
> <LM_ID>
LMFA01020247

> <COMMON_NAME>
Isocapric acid

> <SYSTEMATIC_NAME>
8-methyl-nonanoic acid

> <FORMULA>
C10H20O2

> <MASS>
172.15

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Branched fatty acids [FA0102]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
OAOABCKPVCUNKO-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C10H20O2/c1-9(2)7-5-3-4-6-8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12)

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
176811

> <ABBREVIATION>
FA 10:0

> <CAYMAN_ID>
9000310

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
111470

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$