LMFA07010601
  LIPID_MAPS_STRUCTURE_DATABASE

 20 19  0     0  0            999 V2000
   12.0920    9.1879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0920    8.3981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8818    7.7808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8818    6.6284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2304    7.9393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3688    8.4459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5071    7.9393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6456    8.4459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7839    7.9393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9223    8.4459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.9393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9223    9.4332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0202    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1587    6.5925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2970    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4354    6.5925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7121    6.5925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8504    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7121    7.5798    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
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
  4 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
 18 20  1  0  0  0  0
M  END
> <LM_ID>
LMFA07010601

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

> <SYSTEMATIC_NAME>
7-Methyloctyl 7-methyloctanoate

> <FORMULA>
C18H36O2

> <MASS>
284.27

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Wax monoesters [FA0701]

> <CLASS_LEVEL4>
-

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

> <INCHI_KEY>
LHWUVOILCRBENG-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H36O2/c1-16(2)12-8-5-6-11-15-20-18(19)14-10-7-9-13-17(3)4/h16-17H,5-15H2,1-4H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
196213

> <ABBREVIATION>
WE 18:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9882283

> <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

$$$$