LMFA07100027
  LIPID_MAPS_STRUCTURE_DATABASE

 13 12  0  0  0  0  0  0  0  0999 V2000
   13.4303   -7.1482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3135   -7.6581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4303   -6.1283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5406   -7.6581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6505   -7.6581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7604   -7.1482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8704   -6.6383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9804   -6.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0903   -5.6184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2002   -5.1085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3101   -5.1085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4200   -5.6183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1795   -7.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0     0  0
  1  3  2  0     0  0
  1  4  1  0     0  0
  4  5  2  0     0  0
  5  6  1  0     0  0
  6  7  3  0     0  0
  7  8  1  0     0  0
  8  9  3  0     0  0
  9 10  1  0     0  0
 10 11  2  0     0  0
 11 12  1  0     0  0
  2 13  1  0     0  0
M  END
> <LM_ID>
LMFA07100027

> <COMMON_NAME>
Matricaria ester

> <SYSTEMATIC_NAME>
methyl 2Z,8Z-Decadiene-4,6-diynote

> <FORMULA>
C11H10O2

> <MASS>
174.07

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Short fatty esters [FA0710]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
SFE 1:0/10:4(2Z,4Y,6Y,8Z)

> <INCHI_KEY>
GXPDZHWFJLUFGY-RTAKVZRXSA-N

> <INCHI>
InChI=1S/C11H10O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3-4,9-10H,1-2H3/b4-3-,10-9-

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
SFE 11:6

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5319306

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
99108

> <CITATION>
-

$$$$