LMFA07010600
  LIPID_MAPS_STRUCTURE_DATABASE

 18 17  0     0  0            999 V2000
   11.3019    9.1879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3019    8.3980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0918    7.7809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0918    6.6284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4405    7.9392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5789    8.4459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7173    7.9392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8557    8.4459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9941    7.9392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8557    9.4332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2303    6.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3687    6.5924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5071    6.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6456    6.5924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7838    6.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9223    6.5924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    6.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9223    7.5797    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
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  4 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
 16 18  1  0  0  0  0
M  END
> <LM_ID>
LMFA07010600

> <COMMON_NAME>
WE 8:0(7Me)/6:0(5Me)

> <SYSTEMATIC_NAME>
7-Methyloctyl 5-methylhexanoate

> <FORMULA>
C16H32O2

> <MASS>
256.24

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Wax monoesters [FA0701]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
WE(8:0(7Me)/6:0(5Me))

> <INCHI_KEY>
BPHQSJWFIXIDDC-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H32O2/c1-14(2)10-7-5-6-8-13-18-16(17)12-9-11-15(3)4/h14-15H,5-13H2,1-4H3

> <SMILES>
O=C(CCCC(C)C)OCCCCCCC(C)C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
179734

> <ABBREVIATION>
WE 16:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
56936009

> <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>
1368505

> <CITATION>
17929095

$$$$