LMFA07010819
  LIPID_MAPS_STRUCTURE_DATABASE

 17 16  0  0  0  0            999 V2000
   -3.2157    1.2368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2157    0.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9303    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5011    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7865    0.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0718    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0718   -0.8245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3573   -1.2368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3573   -0.8245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3573    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7865   -1.2368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0718    0.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0718    1.2368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7865    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5011    0.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2157    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9303    0.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  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
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 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
M  END
> <LM_ID>
LMFA07010819

> <COMMON_NAME>
Citronellyl pentanoate

> <SYSTEMATIC_NAME>
3,7-dimethyloct-6-en-1-yl pentanoate

> <FORMULA>
C15H28O2

> <MASS>
240.21

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Wax monoesters [FA0701]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PFOJEJPZUVQHEH-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C15H28O2/c1-5-6-10-15(16)17-12-11-14(4)9-7-8-13(2)3/h8,14H,5-7,9-12H2,1-4H3

> <SMILES>
C/C(=C\CCC(C)CCOC(CCCC)=O)/C

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0037229

> <CHEBI_ID>
171851

> <ABBREVIATION>
WE 15:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
61416

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]; Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]; Branched fatty acids [FA0102]

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
-

> <CITATION>
-

$$$$