LMFA01050395
  LIPID_MAPS_STRUCTURE_DATABASE

 11 10  0  0  0  0  0  0  0  0999 V2000
    9.2870    6.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5725    5.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8580    6.2374    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.1434    5.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4289    6.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7144    5.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0014    5.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2870    7.0624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7144    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8580    7.0624    0.0000 O   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
  5  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  2  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  3 11  1  0  0  0  0
M  END
> <LM_ID>
LMFA01050395

> <COMMON_NAME>
3-hydroxy-isoheptanoic acid

> <SYSTEMATIC_NAME>
3-hydroxy-6-methyl-hexanoic acid

> <FORMULA>
C8H16O3

> <MASS>
160.11

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Hydroxy fatty acids [FA0105]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
BVAXVQDOCBTYID-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C8H16O3/c1-6(2)3-4-7(9)5-8(10)11/h6-7,9H,3-5H2,1-2H3,(H,10,11)

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB02207

> <CHEBI_ID>
180043

> <ABBREVIATION>
FA 8:0;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
18386935

> <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>
-

$$$$