LMFA07010602
  LIPID_MAPS_STRUCTURE_DATABASE

 19 18  0     0  0            999 V2000
   12.0880    9.1858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0880    8.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8772    7.7798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8772    6.6280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2270    7.9381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3660    8.4444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5049    7.9381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6439    8.4444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7828    7.9381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9218    8.4444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    7.9381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0163    6.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1552    6.5921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2942    6.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4331    6.5921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5721    6.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7110    6.5921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8501    6.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7110    7.5788    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
  4 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
 17 19  1  0  0  0  0
M  END
> <LM_ID>
LMFA07010602

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

> <SYSTEMATIC_NAME>
7-Methyloctyl octanoate

> <FORMULA>
C17H34O2

> <MASS>
270.26

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Wax monoesters [FA0701]

> <CLASS_LEVEL4>
-

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

> <INCHI_KEY>
LSIDHXSWCFFFGE-UHFFFAOYSA-N

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

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
179965

> <ABBREVIATION>
WE 17:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
49854244

> <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

$$$$