LMFA07010524
  LIPID_MAPS_STRUCTURE_DATABASE

 13 12  0     0  0            999 V2000
   12.2712    8.4972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2712    7.6839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0846    7.0483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3841    7.2114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4968    7.7331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6095    7.2114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7224    7.7331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8351    7.2114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9479    7.7331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.2114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4968    8.7498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9479    8.7498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9834    7.4867    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
  2  4  1  0  0  0  0
  4  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  2  0  0  0  0
  9 10  1  0  0  0  0
  5 11  1  0  0  0  0
  9 12  1  0  0  0  0
  3 13  1  0     0  0
M  END
> <LM_ID>
LMFA07010524

> <COMMON_NAME>
SFE 1:0/8:1(6E)(3Me,7Me)

> <SYSTEMATIC_NAME>
Methyl 3,7-dimethyl-6E-octenoate

> <FORMULA>
C11H20O2

> <MASS>
184.15

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Short fatty esters [FA0710]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
WE(1:0/8:1(6E)(3Me,7Me)); Methyl citronellate

> <INCHI_KEY>
ZFLPOPCZMXGUOJ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C11H20O2/c1-9(2)6-5-7-10(3)8-11(12)13-4/h6,10H,5,7-8H2,1-4H3

> <SMILES>
O=C(CC(C)CC/C=C(\C)/C)OC

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0037225

> <CHEBI_ID>
172062

> <ABBREVIATION>
SFE 11:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
61290

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Prenol Lipids [PR]

> <ALT_MAIN_CLASSES>
Isoprenoids [PR01]

> <ALT_SUB_CLASSES>
C10 isoprenoids (monoterpenes) [PR0102]

> <ALT_CLASS_LEVEL4S>
Acyclic monoterpenoids [PR010201]

> <TAXONOMY>
460019

> <CITATION>
11504022

$$$$