LMFA07011178
  LIPID_MAPS_STRUCTURE_DATABASE

 29 29  0     0  0            999 V2000
    9.2673   -8.0594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5531   -7.6319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8247   -8.0348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1104   -7.6073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3820   -8.0102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6677   -7.5826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9392   -7.9855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2250   -7.5580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4966   -7.9609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7823   -7.5334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5531   -6.9406    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9499   -7.5334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2289   -7.9496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5081   -7.5334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2129   -7.9496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9337   -7.5334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6547   -7.9496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3755   -7.5334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0965   -7.9496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8173   -7.5334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1411   -7.5731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9991   -8.0867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8729   -7.6004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8730   -6.6004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7390   -6.1004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6050   -6.6004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6050   -7.6004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7390   -8.1004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4710   -6.1004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  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
  2 11  2  0  0  0  0
 10 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
  1 21  1  0     0  0
 21 22  1  0     0  0
 22 23  1  0     0  0
 23 24  1  0     0  0
 24 25  2  0     0  0
 25 26  1  0     0  0
 26 27  2  0     0  0
 27 28  1  0     0  0
 28 23  2  0     0  0
 26 29  1  0     0  0
M  END
> <LM_ID>
LMFA07011178

> <COMMON_NAME>
Tyrosyl Oleate

> <SYSTEMATIC_NAME>
2-(4-hydroxyphenyl)ethyl-octadec-9Z-enoate

> <FORMULA>
C26H42O3

> <MASS>
402.31

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Wax monoesters [FA0701]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Oleic acid 2-(4-hydroxyphenyl)ethyl ester

> <INCHI_KEY>
NEDFFPHPQFWCRE-KTKRTIGZSA-N

> <INCHI>
InChI=1S/C26H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(28)29-23-22-24-18-20-25(27)21-19-24/h9-10,18-21,27H,2-8,11-17,22-23H2,1H3/b10-9-

> <SMILES>
O(CCC1=CC=C(O)C=C1)C(=O)CCCCCCC/C=C\CCCCCCCC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
WE 26:5;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
25177375

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
4146

> <CITATION>
34209968

$$$$