LMFA01090024
  LIPID_MAPS_STRUCTURE_DATABASE

 10  9  0     0  0            999 V2000
   12.5726    6.8700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4541    6.3609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5726    7.6850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6846    6.3609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7963    6.8700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9079    6.3609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0196    6.8700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1312    6.3609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2428    6.8700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3545    6.3606    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  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
  9 10  1  0  0  0  0
M  END
> <LM_ID>
LMFA01090024

> <COMMON_NAME>
7-chloro-2E-heptenoic acid

> <SYSTEMATIC_NAME>
7-chloro-2E-heptenoic acid

> <FORMULA>
C7H11O2Cl

> <MASS>
162.04

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Halogenated fatty acids [FA0109]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
DFRVTLVIAOJPQP-HWKANZROSA-N

> <INCHI>
InChI=1S/C7H11ClO2/c8-6-4-2-1-3-5-7(9)10/h3,5H,1-2,4,6H2,(H,9,10)/b5-3+

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
137821

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5312951

> <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>
32630

> <CITATION>
-

$$$$