LMFA01020450
  LIPID_MAPS_STRUCTURE_DATABASE

 14 13  0     0  0            999 V2000
   -0.4313   -0.2491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4313   -0.7470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4313    0.7470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3002   -0.7470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1694   -0.2491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0387   -0.7470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9080   -0.2491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7772   -0.7470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6465   -0.2491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5158   -0.7470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1694    0.7470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3001   -1.7470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0387   -1.7470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7772   -1.7470    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
  5 11  1  6  0  0  0
  4 12  1  1     0  0
  6 13  1  6     0  0
  8 14  1  6     0  0
M  END
> <LM_ID>
LMFA01020450

> <COMMON_NAME>
Hemibourgeanic acid

> <SYSTEMATIC_NAME>
3S-hydroxy-2S,4R,6R-trimethyloctanoic acid

> <FORMULA>
C11H22O3

> <MASS>
202.16

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Branched fatty acids [FA0102]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PTBSRFJPVULOFP-IMSYWVGJSA-N

> <INCHI>
InChI=1S/C11H22O3/c1-5-7(2)6-8(3)10(12)9(4)11(13)14/h7-10,12H,5-6H2,1-4H3,(H,13,14)/t7-,8-,9+,10+/m1/s1

> <SMILES>
C([C@@H](C)[C@@H](O)[C@H](C)C[C@H](C)CC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 11:0;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14753158

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Hydroxy fatty acids [FA0105]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
643221

> <CITATION>
-

$$$$