LMFA07100029
  LIPID_MAPS_STRUCTURE_DATABASE

 33 33  0  0  0  0  0  0  0  0999 V2000
   18.0992   -4.4268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9610   -4.9244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0992   -3.4317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2310   -4.9244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3624   -4.4268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4938   -4.9244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6252   -4.4268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7566   -4.9244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8882   -4.4268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0196   -4.9244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1510   -4.4268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2824   -4.9244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4138   -4.4268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5452   -4.9244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6767   -4.4268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8081   -4.9244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9396   -4.4268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0710   -4.9244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2824   -5.9196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9610   -5.9244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0951   -6.4244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7824   -6.7856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2824   -7.6516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7824   -6.7857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2825   -7.6516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2067   -4.4214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2825   -7.6516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7848   -8.5182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7825   -8.5185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2838   -7.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7794   -6.7817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7794   -6.7881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2838   -7.6533    0.0000 O   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  1  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 17 18  1  0     0  0
 12 19  1  6     0  0
  2 20  1  0     0  0
 20 21  1  0     0  0
 19 22  1  0     0  0
 22 23  2  0     0  0
 22 24  1  0     0  0
 24 25  2  0     0  0
 18 26  1  0     0  0
 25 27  1  0     0  0
 29 27  2  0     0  0
 27 31  1  0     0  0
 31 32  2  0     0  0
 32 30  1  0     0  0
 30 28  2  0     0  0
 28 29  1  0     0  0
 30 33  1  0     0  0
M  END
> <LM_ID>
LMFA07100029

> <COMMON_NAME>
Trollioester B

> <SYSTEMATIC_NAME>
(S,E)-Ethyl 10-coumaroyloxy-16-hydroxyhexadecanoate

> <FORMULA>
C27H42O6

> <MASS>
462.30

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Short fatty esters [FA0710]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
GZGSOGIZHMXTBD-MONSYSNTSA-N

> <INCHI>
InChI=1S/C27H42O6/c1-2-32-26(30)15-11-6-4-3-5-9-13-25(14-10-7-8-12-22-28)33-27(31)21-18-23-16-19-24(29)20-17-23/h16-21,25,28-29H,2-15,22H2,1H3/b21-18+/t25-/m0/s1

> <SMILES>
C(CCCCCCCC[C@H](OC(/C=C/C1C=CC(O)=CC=1)=O)CCCCCCO)(=O)OCC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
-

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
78479

> <CITATION>
42960691

$$$$