LMFA01031165
  LIPID_MAPS_STRUCTURE_DATABASE

 21 20  0     0  0            999 V2000
   -0.4309   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4309   -0.7463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4309    0.7463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1675   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0361   -0.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9046   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7731   -0.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6416   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5101   -0.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3786   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2473   -0.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1158   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9843   -0.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8528   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7213   -0.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5898   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4584   -0.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3270   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.1955   -0.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9046    0.7463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0     0  0
  1  3  2  0     0  0
  1  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  2  0     0  0
  9 10  1  0     0  0
 10 11  2  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 17 18  1  0     0  0
 18 19  1  0     0  0
 19 20  1  0     0  0
  7 21  2  0     0  0
M  END
> <LM_ID>
LMFA01031165

> <COMMON_NAME>
5-keto-6E,8E-octadecadienoic acid

> <SYSTEMATIC_NAME>
5-oxo-6E,8E-octadecadienoic acid

> <FORMULA>
C18H30O3

> <MASS>
294.22

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Unsaturated fatty acids [FA0103]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Rabdosia Acid B; Macaene

> <INCHI_KEY>
YVWMHFYOIJMUMN-CYZWUHAYSA-N

> <INCHI>
InChI=1S/C18H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-17(19)15-13-16-18(20)21/h10-12,14H,2-9,13,15-16H2,1H3,(H,20,21)/b11-10+,14-12+

> <SMILES>
C(CCCC(=O)/C=C/C=C/CCCCCCCCC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 18:3;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
90478988

> <LIPIDBANK_ID>
-

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

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]; Octadecanoids [FA02]

> <ALT_SUB_CLASSES>
Oxo fatty acids [FA0106]; Other Octadecanoids [FA0200]

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
204133; 153348

> <CITATION>
11754952

$$$$