LMFA07010921
  LIPID_MAPS_STRUCTURE_DATABASE

 10  9  0  0  0  0            999 V2000
   -2.3091    1.6082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8802    2.4332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8802    1.6082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1657    1.1957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5487    2.4332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5487    1.6082    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2632    1.1957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5947    1.1957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0236    1.1957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3091    2.4332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  4  0  0  0
  1  9  1  0  0  0  0
  1  8  2  0  0  0  0
  8  3  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4  6  1  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
> <LM_ID>
LMFA07010921

> <COMMON_NAME>
isopropyl 3-hydroxybut-2-enoate

> <SYSTEMATIC_NAME>
propan-2-yl 3-hydroxybut-2-enoate

> <FORMULA>
C7H12O3

> <MASS>
144.08

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Wax monoesters [FA0701]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ZNFAKZVVPSSMDA-UHFFFAOYSA-N

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

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
38868

> <ABBREVIATION>
WE 7:1;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
54707516

> <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>
Unsaturated fatty acids [FA0103]; Hydroxy fatty acids [FA0105]

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
-

> <CITATION>
-

$$$$