LMFA07010559
  LIPID_MAPS_STRUCTURE_DATABASE

 25 24  0     0  0            999 V2000
   19.8312    9.1681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.8312    8.3832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6160    7.7700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6160    6.6247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9751    7.9274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1188    8.4309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2626    7.9274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4065    8.4309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7599    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9037    6.5891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0474    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1913    6.5891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3351    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4789    6.5891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6226    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7665    6.5891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9103    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0540    6.5891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1978    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3417    6.5891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4854    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6292    6.5891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7729    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9168    6.5891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  2  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
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  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
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
> <LM_ID>
LMFA07010559

> <COMMON_NAME>
WE 18:1(6)/5:0

> <SYSTEMATIC_NAME>
6-Octadecenyl valerate

> <FORMULA>
C23H46O2

> <MASS>
354.35

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Wax monoesters [FA0701]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
WE(18:1(6)/5:0)

> <INCHI_KEY>
VPKUWBRGYWLQAA-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C23H46O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25-23(24)21-6-4-2/h3-22H2,1-2H3

> <SMILES>
O=C(CCCC)OCCCCCCCCCCCCCCCCCC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
WE 23:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
568510

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
987935

> <CITATION>
-

$$$$