LMFA07040002
  LIPID_MAPS_STRUCTURE_DATABASE

 10 10  0     0  0            999 V2000
    9.2743    7.9238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5250    7.2294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8306    7.9787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5798    8.6731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5514    9.6297    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8098    8.0174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4776    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6037    8.9748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3329    8.9210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.3231    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
  1  4  1  0  0  0  0
  4  5  2  0  0  0  0
  3  6  1  1  0  0  0
  2  7  1  1  0  0  0
  3  8  1  6  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
M  END
> <LM_ID>
LMFA07040002

> <COMMON_NAME>
2S-Hydroxy-2-isopropylbutano-3S-lactone

> <SYSTEMATIC_NAME>
2S-Hydroxy-2-isopropylbutano-3S-lactone

> <FORMULA>
C7H12O3

> <MASS>
144.08

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Lactones [FA0704]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(2S,3S)-2-Hydroxy-2-isopropylbutano-3-lactone

> <INCHI_KEY>
KHKLGIPKSSNKPU-FSPLSTOPSA-N

> <INCHI>
InChI=1S/C7H12O3/c1-4(2)7(9)5(3)10-6(7)8/h4-5,9H,1-3H3/t5-,7-/m0/s1

> <SMILES>
O1C(=O)[C@](O)(C(C)C)[C@@H]1C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
165620

> <ABBREVIATION>
FA 7:1;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10909685

> <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>
76237

> <CITATION>
24227617

$$$$