LMFA01150032
  LIPID_MAPS_STRUCTURE_DATABASE

 20 20  0     0  0            999 V2000
   -2.6147   -0.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8280   -0.1773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0413   -0.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2546   -0.1773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5647   -0.7385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3189   -0.1773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1056   -0.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8923   -0.1773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6790   -0.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4657   -0.1773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0220    0.8550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0423    0.8550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5767    1.7804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5403   -0.0973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4657   -0.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3913   -0.7117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3913   -0.0973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3169   -0.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3169   -0.1773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3913   -1.7804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
  4 11  2  0     0  0
  6 12  2  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
  1 14  1  0     0  0
 14 15  1  0     0  0
 10 16  1  0     0  0
 15 17  1  0     0  0
 17 18  1  0     0  0
 16 19  1  0     0  0
 16 20  2  0     0  0
M  END
> <LM_ID>
LMFA01150032

> <COMMON_NAME>
5-(3-methyl-5-heptylfuran-2-yl)-pentanoic acid

> <SYSTEMATIC_NAME>
5-(5-heptyl-3-methylfuran-2-yl)-pentanoic acid

> <FORMULA>
C17H28O3

> <MASS>
280.20

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Heterocyclic fatty acids [FA0115]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
5M7; 3 methyl-5-heptyl-2-furanpentanoic acid

> <INCHI_KEY>
DRMAOLDHZDXOST-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H28O3/c1-3-4-5-6-7-10-15-13-14(2)16(20-15)11-8-9-12-17(18)19/h13H,3-12H2,1-2H3,(H,18,19)

> <SMILES>
C(CCCC)CCC1=CC(C)=C(CCCCC(=O)O)O1

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0112087

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 17:3;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
85565030

> <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>
6728

> <CITATION>
29051014

$$$$