LMFA07011191
  LIPID_MAPS_STRUCTURE_DATABASE

 20 19  0     0  0            999 V2000
   -0.4416   -0.2550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4416   -0.7649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4416    0.7649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3313   -0.7649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2214   -0.7649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1115   -0.2550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0015    0.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8916    0.7649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7817    1.2748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6717    1.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5618    1.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4519    1.2749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3162    1.7779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3076   -0.2648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1839    1.2809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0482    1.7838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1873    0.2809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0448    2.7838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9160    1.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9195    0.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  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  3  0  0  0  0
  7  8  1  0  0  0  0
  8  9  3  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0     0  0
  2 14  1  0     0  0
 13 15  1  0     0  0
 15 16  1  0     0  0
 15 17  2  0     0  0
 16 18  1  0     0  0
 16 19  2  0     0  0
 19 20  1  0     0  0
M  END
> <LM_ID>
LMFA07011191

> <COMMON_NAME>
(2Z,8Z)-10-Angeloyloxy matricaria ester

> <SYSTEMATIC_NAME>
Methyl (2Z,8Z)-10-[(Z)-2-methylbut-2-enoyl]oxydeca-2,8-dien-4,6-diynoate

> <FORMULA>
C16H16O4

> <MASS>
272.10

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Wax monoesters [FA0701]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
BYGJMPLSVFUVSR-DZZGJHRVSA-N

> <INCHI>
InChI=1S/C16H16O4/c1-4-14(2)16(18)20-13-11-9-7-5-6-8-10-12-15(17)19-3/h4,9-12H,13H2,1-3H3/b11-9-,12-10-,14-4-

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
WE 16:8;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
6475133

> <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>
59294

> <CITATION>
34688040

$$$$