LMFA01170129
  LIPID_MAPS_STRUCTURE_DATABASE

 14 13  0  0  0  0  0  0  0  0999 V2000
   11.0978    6.3156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8542    5.8787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0978    7.0152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3356    5.8787    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.5732    6.3155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8107    5.8787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0483    6.3155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2859    5.8787    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.5234    6.3155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3356    5.2568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2859    5.2568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7610    5.8787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7610    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.3181    0.0000 O   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 12  1  0  0  0  0
  4 10  1  0  0  0  0
  8 11  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  END
> <LM_ID>
LMFA01170129

> <COMMON_NAME>
2,6-Dimethyl-1,8-octanedioic acid

> <SYSTEMATIC_NAME>
2,6-Dimethyl-1,8-octanedioic acid

> <FORMULA>
C10H18O4

> <MASS>
202.12

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Dicarboxylic acids [FA0117]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YXTSFTNUPXGYDZ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C10H18O4/c1-7(6-9(11)12)4-3-5-8(2)10(13)14/h7-8H,3-6H2,1-2H3,(H,11,12)(H,13,14)

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
180323

> <ABBREVIATION>
FA 10:1;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
193373

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Branched fatty acids [FA0102]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$