LMFA07010748
  LIPID_MAPS_STRUCTURE_DATABASE

 13 12  0     0  0            999 V2000
   -4.7633   -0.7499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8968   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0303   -0.7499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1654   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2989   -0.7499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4341   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4323   -0.7499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2988   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2988    0.7499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1637   -0.7499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0303   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8968   -0.7499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7633   -0.2499    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
  3  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
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
M  END
> <LM_ID>
LMFA07010748

> <COMMON_NAME>
SFE 3:1(2)/8:0

> <SYSTEMATIC_NAME>
prop-2-en-1-yl octanoate

> <FORMULA>
C11H20O2

> <MASS>
184.15

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Short fatty esters [FA0710]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
2-Propenyl octanoate; Allyl octanoate; Allyl caprylate

> <INCHI_KEY>
PZGMUSDNQDCNAG-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C11H20O2/c1-3-5-6-7-8-9-11(12)13-10-4-2/h4H,2-3,5-10H2,1H3

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0040593

> <CHEBI_ID>
172058

> <ABBREVIATION>
SFE 11:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
20219

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty esters [FA07]

> <ALT_SUB_CLASSES>
Short fatty esters [FA0710]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
3649

> <CITATION>
-

$$$$