LMFA07010421
  LIPID_MAPS_STRUCTURE_DATABASE

 15 14  0     0  0            999 V2000
   12.1889    9.0071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1889    8.2013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9948    7.5716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9948    6.6398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2140    6.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3355    6.6032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4563    6.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5772    6.6032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6981    6.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8188    6.6032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9397    6.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0605    6.6032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3099    7.7331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4306    8.2501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5515    7.7331    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
  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
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  2 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
> <LM_ID>
LMFA07010421

> <COMMON_NAME>
SFE 9:0/4:0

> <SYSTEMATIC_NAME>
nonyl butyrate

> <FORMULA>
C13H26O2

> <MASS>
214.19

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Short fatty esters [FA0710]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
WE(9:0/4:0)

> <INCHI_KEY>
RVNCBAPCNVAWOY-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C13H26O2/c1-3-5-6-7-8-9-10-12-15-13(14)11-4-2/h3-12H2,1-2H3

> <SMILES>
O=C(CCC)OCCCCCCCCC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
180115

> <ABBREVIATION>
SFE 13:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
75836

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
72785

> <CITATION>
-

$$$$