LMFA01170136
  LIPID_MAPS_STRUCTURE_DATABASE

 14 13  0     0  0            999 V2000
    3.0311    0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1651   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4330   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4330    0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1651    0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0311   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0311    1.2501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971   -0.2499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0311   -1.2501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971    0.2499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1651   -1.2501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1651    1.2501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  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
  1  9  2  0     0  0
  1 10  1  0     0  0
  8 11  2  0     0  0
  8 12  1  0     0  0
  2 13  1  0     0  0
  7 14  1  0     0  0
M  END
> <LM_ID>
LMFA01170136

> <COMMON_NAME>
2-hydroxy-7-methyl-Octanedioic acid

> <SYSTEMATIC_NAME>
2-hydroxy-7-methyl-Octanedioic acid

> <FORMULA>
C9H16O5

> <MASS>
204.10

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Dicarboxylic acids [FA0117]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Octanedioic acid, 2-hydroxy-, 7-methyl- 

> <INCHI_KEY>
KQONDWAKSAUKLO-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C9H16O5/c1-6(8(11)12)4-2-3-5-7(10)9(13)14/h6-7,10H,2-5H2,1H3,(H,11,12)(H,13,14)

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
188376

> <ABBREVIATION>
FA 9:1;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
131839802

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]; Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Branched fatty acids [FA0102]; Hydroxy fatty acids [FA0105]

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
-

> <CITATION>
-

$$$$