LMFA07010759
  LIPID_MAPS_STRUCTURE_DATABASE

 19 18  0  0  0  0            999 V2000
   -1.3612   -1.8560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7012   -2.2699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0412   -1.8560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7836   -2.2699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4450   -1.8560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4450   -1.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1874   -0.6186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7836   -0.6186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7836    0.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4450    0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4450    1.4436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7836    1.9386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0412    1.5262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7012    1.9386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7012    2.7636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4436    3.0949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1049    2.7636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1874    1.9386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7218   -3.0949    0.0000 C   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
  2 19  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  2  0  0  0  0
  6  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
 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
M  END
> <LM_ID>
LMFA07010759

> <COMMON_NAME>
3-Methylbutyl dodecanoate

> <SYSTEMATIC_NAME>
3-methylbutyl dodecanoate

> <FORMULA>
C17H34O2

> <MASS>
270.26

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Wax monoesters [FA0701]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FVKRIDSRWFEQME-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H34O2/c1-4-5-6-7-8-9-10-11-12-13-17(18)19-15-14-16(2)3/h16H,4-15H2,1-3H3

> <SMILES>
CC(C)CCOC(CCCCCCCCCCC)=O

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0037372

> <CHEBI_ID>
87343

> <ABBREVIATION>
WE 17:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
61386

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Branched fatty acids [FA0102]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$