LMFA01170081
  LIPID_MAPS_STRUCTURE_DATABASE

 12 11  0  0  0  0  0  0  0  0999 V2000
    8.5937    6.2336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8814    5.8223    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.1692    6.2336    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.4570    5.8223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7447    6.2336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3059    5.8224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5937    7.0560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.8223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8814    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7525    7.0560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7579    6.9458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5804    6.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  2  0  0  0  0
  2  9  1  0  0  0  0
  8  5  1  0  0  0  0
  5 10  2  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
M  END
> <LM_ID>
LMFA01170081

> <COMMON_NAME>
2,3-dimethyl-3-hydroxy-glutaric acid

> <SYSTEMATIC_NAME>
2,3-dimethyl-3-hydroxy-pentanedioic acid

> <FORMULA>
C7H12O5

> <MASS>
176.07

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Dicarboxylic acids [FA0117]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CCFYMOIEFAALDH-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C7H12O5/c1-4(6(10)11)7(2,12)3-5(8)9/h4,12H,3H2,1-2H3,(H,8,9)(H,10,11)

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0002025

> <CHEBI_ID>
173814

> <ABBREVIATION>
FA 7:1;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
21252268

> <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>
-

$$$$