LMFA01070021
  LIPID_MAPS_STRUCTURE_DATABASE

 23 23  0  0  0  0  0  0  0  0999 V2000
   15.2708    9.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9852    8.5915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2708    9.8286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5514    8.5915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8314    9.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1116    8.5915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3917    9.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6718    8.5915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9519    9.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2321    8.5915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5122    9.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7924    8.5915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0724    9.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3526    9.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6327    8.5915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9128    9.0038    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1930    8.5915    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1838    7.7619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8948    7.3343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8855    6.5047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5965    6.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5872    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    9.4286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  1  3  2  0  0  0  0
  1  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  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 16 23  1  1  0  0  0
 17 23  1  1  0  0  0
M  END
> <LM_ID>
LMFA01070021

> <COMMON_NAME>
Alchornoic acid

> <SYSTEMATIC_NAME>
14S,15R-epoxy-11Z-eicosenoic acid

> <FORMULA>
C20H36O3

> <MASS>
324.27

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Epoxy fatty acids [FA0107]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Alchornic acid

> <INCHI_KEY>
IQTLUAOJSNPZIR-QOLSVTOYSA-N

> <INCHI>
InChI=1S/C20H36O3/c1-2-3-12-15-18-19(23-18)16-13-10-8-6-4-5-7-9-11-14-17-20(21)22/h10,13,18-19H,2-9,11-12,14-17H2,1H3,(H,21,22)/b13-10-/t18-,19+/m1/s1

> <SMILES>
C(CCCCCCCCC/C=C\C[C@@H]1O[C@@H]1CCCCC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
165391

> <ABBREVIATION>
FA 20:2;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44256507

> <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>
316697

> <CITATION>
27519847

$$$$