LMFA07010941
  LIPID_MAPS_STRUCTURE_DATABASE

 10  9  0  0  0  0            999 V2000
   -1.0725   -2.0632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3575   -1.6507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3574   -2.0618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3575   -0.8243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3560   -0.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3560    0.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0711    0.8257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0711    1.6507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7861    2.0632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7861   -1.6507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 10  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
> <LM_ID>
LMFA07010941

> <COMMON_NAME>
Methyl 2-heptenoate

> <SYSTEMATIC_NAME>
methyl (2E)-hept-2-enoate

> <FORMULA>
C8H14O2

> <MASS>
142.10

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Short fatty esters [FA0710]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
IQQDLHGWGKEQDS-VOTSOKGWSA-N

> <INCHI>
InChI=1S/C8H14O2/c1-3-4-5-6-7-8(9)10-2/h6-7H,3-5H2,1-2H3/b7-6+

> <SMILES>
O(C)C(/C=C/CCCC)=O

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0039872

> <CHEBI_ID>
180288

> <ABBREVIATION>
SFE 8:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5368087

> <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>
-

$$$$