LMFA12000018
  LIPID_MAPS_STRUCTURE_DATABASE

  5  4  0  0  0  0  0  0  0  0999 V2000
    7.3166    6.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5446    5.6299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7724    6.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.6299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5446    5.0000    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  2  0  0  0  0
  2  5  2  0  0  0  0
M  END
> <LM_ID>
LMFA12000018

> <COMMON_NAME>
3-Buten-2-one

> <SYSTEMATIC_NAME>
3-Buten-2-one

> <FORMULA>
C4H6O

> <MASS>
70.04

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Oxygenated hydrocarbons [FA12]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FUSUHKVFWTUUBE-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C4H6O/c1-3-4(2)5/h3H,1H2,2H3

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0061873

> <CHEBI_ID>
48058

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
6570

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$