LMFA07010596
  LIPID_MAPS_STRUCTURE_DATABASE

 19 18  0  0  0  0  0  0  0  0999 V2000
    9.9794    8.3969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9794    7.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6314    7.2353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6314    6.2838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2681    7.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5568    7.7843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8454    7.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1341    7.7843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4227    7.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7114    7.7843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9202    5.8151    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.2088    6.2541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4975    5.8151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7861    6.2541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0748    5.8151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3634    6.2541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9202    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0748    5.0000    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
 12 18  1  0  0  0  0
 16 19  1  0  0  0  0
M  END
> <LM_ID>
LMFA07010596

> <COMMON_NAME>
2,6-Dimethyl-5-heptenyl octanoate

> <SYSTEMATIC_NAME>
2,6-Dimethyl-5-heptenyl octanoate

> <FORMULA>
C17H34O2

> <MASS>
270.26

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Wax monoesters [FA0701]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
WE(7:1(5)(2Me,6Me)/8:0)

> <INCHI_KEY>
QLVHYLFZYNWOCF-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H34O2/c1-5-6-7-8-9-13-17(18)19-14-16(4)12-10-11-15(2)3/h15-16H,5-14H2,1-4H3

> <SMILES>
O=C(CCCCCCC)OCC(C)CCCC(C)C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
179966

> <ABBREVIATION>
WE 17:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
56936005

> <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>
-

$$$$