LMFA07010891
  LIPID_MAPS_STRUCTURE_DATABASE

 16 16  0  0  0  0            999 V2000
   -1.2669    0.0777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7479   -0.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7084   -0.7880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2855   -1.5590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2475   -1.2689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2475   -0.3071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2855   -0.0185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4726   -0.1353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1113    0.4473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9055    0.2343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2597   -0.9323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4881    0.8169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2851    0.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8677    1.1879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6647    0.9749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2475    1.5590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  2  0  0  0  0
  9 10  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
> <LM_ID>
LMFA07010891

> <COMMON_NAME>
Furfuryl octanoate

> <SYSTEMATIC_NAME>
furan-2-ylmethyl octanoate

> <FORMULA>
C13H20O3

> <MASS>
224.14

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Wax monoesters [FA0701]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JNIWCVWKECYDSV-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C13H20O3/c1-2-3-4-5-6-9-13(14)16-11-12-8-7-10-15-12/h7-8,10H,2-6,9,11H2,1H3

> <SMILES>
O(C(=O)CCCCCCC)CC1OC=CC=1

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0037730

> <CHEBI_ID>
174158

> <ABBREVIATION>
WE 13:3;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
61985

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$