LMFA07010657
  LIPID_MAPS_STRUCTURE_DATABASE

 28 27  0     0  0            999 V2000
   20.7936   10.5115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.7936    9.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5879    9.0964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.9271    9.2556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0605    9.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1938    9.2556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3270    9.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4605    9.2556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5938    9.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7272    9.2556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8604    9.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9939    9.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1272    9.2556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2606    9.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3938    9.2556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5273    9.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6606    9.2556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7941    9.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9273    9.2556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    9.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8548    7.9010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9883    7.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1215    7.9010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5879    7.9372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4587    7.4344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3294    7.9372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7215    7.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7215    6.3607    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 24  1  0  0  0  0
  2  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  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
 24 27  1  0  0  0  0
 27 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
> <LM_ID>
LMFA07010657

> <COMMON_NAME>
4-Methyl-3-heptyl oleate

> <SYSTEMATIC_NAME>
4-Methyl-3-heptyl 9Z-octadecenoate

> <FORMULA>
C26H50O2

> <MASS>
394.38

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Wax monoesters [FA0701]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
WE(5:0(1Et,2Me)/18:1(9Z))

> <INCHI_KEY>
JNAHKRYBYLASGC-PFONDFGASA-N

> <INCHI>
InChI=1S/C26H50O2/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-26(27)28-25(7-3)24(4)22-6-2/h14-15,24-25H,5-13,16-23H2,1-4H3/b15-14-

> <SMILES>
O=C(CCCCCCC/C=C\CCCCCCCC)OC(CC)C(C)CCC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
WE 26:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
56936030

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]; Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]; Branched fatty acids [FA0102]

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
411755

> <CITATION>
-

$$$$