LMFA07010967
  LIPID_MAPS_STRUCTURE_DATABASE

  9  8  0  0  0  0            999 V2000
    0.3565   -0.6184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3566   -0.2061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0712   -0.6184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7858   -0.2061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4991   -0.6184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0711   -0.2061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7857   -0.6184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0711    0.6184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4991   -0.2061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  1  0  0  0  0
M  END
> <LM_ID>
LMFA07010967

> <COMMON_NAME>
Methyl sorbate

> <SYSTEMATIC_NAME>
methyl (2E,4E)-hexa-2,4-dienoate

> <FORMULA>
C7H10O2

> <MASS>
126.07

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Short fatty esters [FA0710]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KWKVAGQCDSHWFK-VNKDHWASSA-N

> <INCHI>
InChI=1S/C7H10O2/c1-3-4-5-6-7(8)9-2/h3-6H,1-2H3/b4-3+,6-5+

> <SMILES>
C(=C/C=C/C)\C(=O)OC

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0029582

> <CHEBI_ID>
184593

> <ABBREVIATION>
SFE 7:2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5323650

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$