LMFA07011011
  LIPID_MAPS_STRUCTURE_DATABASE

 16 15  0  0  0  0            999 V2000
   -2.8570    1.8561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8570    1.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5734    0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1448    0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4285    1.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7164    0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0001    1.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7121    0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0001    1.8561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4285    1.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1420    0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1420   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8570   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8570   -1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4285   -0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5734   -1.8561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  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
  7  9  1  0  0  0  0
  8 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 15  2  0  0  0  0
 13 14  1  0  0  0  0
 14 16  1  0  0  0  0
M  END
> <LM_ID>
LMFA07011011

> <COMMON_NAME>
Rhodinyl butyrate

> <SYSTEMATIC_NAME>
3,7-dimethyloct-7-en-1-yl butanoate

> <FORMULA>
C14H26O2

> <MASS>
226.19

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Short fatty esters [FA0710]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PYGYQOOIXMJQOJ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C14H26O2/c1-5-7-14(15)16-11-10-13(4)9-6-8-12(2)3/h13H,2,5-11H2,1,3-4H3

> <SMILES>
CC(CCCC(C)CCOC(=O)CCC)=C

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0037188

> <CHEBI_ID>
171869

> <ABBREVIATION>
SFE 14:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
61093

> <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>
-

$$$$