LMFA08020210
  LIPID_MAPS_STRUCTURE_DATABASE

 21 20  0     0  0            999 V2000
   19.1250   -3.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2590   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3929   -3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2590   -2.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5269   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6609   -3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7949   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9288   -3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0628   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1968   -3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3308   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3308   -2.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4647   -3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5987   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5987   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7327   -3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7327   -3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8667   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0006   -3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1346   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2686   -3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  2  4  2  0     0  0
  3  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
 10 11  1  0     0  0
 11 12  2  0     0  0
 11 13  1  0     0  0
 13 14  1  0     0  0
 14 15  2  0     0  0
 15 16  1  0     0  0
 16 17  2  0     0  0
 17 18  1  0     0  0
 18 19  1  0     0  0
 19 20  1  0     0  0
 20 21  1  0     0  0
M  END
> <LM_ID>
LMFA01060231

> <COMMON_NAME>
Macaene

> <SYSTEMATIC_NAME>
N-(9-oxo-10Z,12Z)-octadecadienoic acid

> <FORMULA>
C18H30O3

> <MASS>
294.22

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Oxo fatty acids [FA0106]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
VGLABFRUPBCSOM-VRULOHATSA-N

> <INCHI>
InChI=1S/C18H30O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h5-6,8,11H,2-4,7,9-10,12-16H2,1H3,(H,20,21)/b6-5-,11-8-

> <SMILES>
OC(=O)CCCCCCCC(C/C=C\C=C/CCCC)=O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 18:3;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
134812248

> <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]; Oxo fatty acids [FA0106]

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
153348

> <CITATION>
25817836

$$$$