LMFA07040009
  LIPID_MAPS_STRUCTURE_DATABASE

 10 10  0  0  0  0  0  0  0  0999 V2000
    6.4289    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7145    5.6600    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0000    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1433    5.6600    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.8578    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1433    6.4851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7145    6.4851    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0000    6.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8578    6.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4289    6.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 10  7  1  0  0  0  0
 10  6  1  0  0  0  0
  7  2  1  0  0  0  0
  2  1  1  0  0  0  0
  1  4  1  0  0  0  0
  4  6  1  0  0  0  0
  2  3  1  1  0  0  0
  4  5  1  1  0  0  0
  6  9  2  0  0  0  0
  7  8  1  6  0  0  0
M  END
> <LM_ID>
LMFA07040009

> <COMMON_NAME>
2S,4R-Dimethyl-5S-hexanolide

> <SYSTEMATIC_NAME>
2S,4R-Dimethyl-5S-hexanolide

> <FORMULA>
C8H14O2

> <MASS>
142.10

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Lactones [FA0704]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(2S,4R,5S)-2,4-Dimethyl-5-hexanolide

> <INCHI_KEY>
VKOQCQOCLWZTTK-VQVTYTSYSA-N

> <INCHI>
InChI=1S/C8H14O2/c1-5-4-6(2)8(9)10-7(5)3/h5-7H,4H2,1-3H3/t5-,6+,7+/m1/s1

> <SMILES>
C1[C@H](C)C(=O)O[C@@H](C)[C@@H]1C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
180303

> <ABBREVIATION>
FA 8:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10888023

> <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]; Carbocyclic fatty acids [FA0114]

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
-

> <CITATION>
-

$$$$