LMFA07010598
  LIPID_MAPS_STRUCTURE_DATABASE

 22 21  0     0  0            999 V2000
   13.8153    9.1879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8153    8.3981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6052    7.7809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6052    6.6283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9539    7.9392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0922    8.4459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2305    7.9392    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    7.9392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6454    8.4459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7839    7.9392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9222    8.4459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0605    7.9392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9222    9.4332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7437    6.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8820    6.5924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0203    6.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1587    6.5924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2971    6.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4354    6.5924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    6.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4354    7.5796    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
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
  4 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
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
> <LM_ID>
LMFA07010598

> <COMMON_NAME>
WE 8:0(7Me)/10:0(9Me)

> <SYSTEMATIC_NAME>
7-Methyloctyl 9-methyldecanoate

> <FORMULA>
C20H40O2

> <MASS>
312.30

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Wax monoesters [FA0701]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
WE(8:0(7Me)/10:0(9Me))

> <INCHI_KEY>
HGOPJJYYEOFSBV-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C20H40O2/c1-18(2)14-10-6-5-7-12-16-20(21)22-17-13-9-8-11-15-19(3)4/h18-19H,5-17H2,1-4H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
179714

> <ABBREVIATION>
WE 20:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
56936007

> <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>
341314

> <CITATION>
-

$$$$