LMFA02000404
  LIPID_MAPS_STRUCTURE_DATABASE

 22 22  0     0  0            999 V2000
   -0.4416   -0.2551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4416   -0.7650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4416    0.7650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3314   -0.7650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2217   -0.2551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1118   -0.7650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0021   -0.2551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8922   -0.7650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7825   -0.2551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6726   -0.7650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5629   -0.2551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4530   -0.2551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3433   -0.7650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2334   -0.2551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1237   -0.2551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0138   -0.7650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9041   -0.2551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7943   -0.7650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6845   -0.2551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.5747   -0.7650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3433   -1.7760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6786    0.5159    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  2  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
 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
 13 21  2  0     0  0
 14 22  1  0     0  0
 15 22  1  0     0  0
M  END
> <LM_ID>
LMFA02000404

> <COMMON_NAME>
11-oxo-12,13-EpOME

> <SYSTEMATIC_NAME>
11-oxo-(12,13)-epoxy-(9Z)-octadecenoic acid

> <FORMULA>
C18H30O4

> <MASS>
310.21

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Octadecanoids [FA02]

> <SUB_CLASS>
Other Octadecanoids [FA0200]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
RDGAFGWICQNYLG-BENRWUELSA-N

> <INCHI>
InChI=1S/C18H30O4/c1-2-3-9-13-16-18(22-16)15(19)12-10-7-5-4-6-8-11-14-17(20)21/h10,12,16,18H,2-9,11,13-14H2,1H3,(H,20,21)/b12-10-

> <SMILES>
C(CCCCCCC/C=C\C(=O)C1OC1CCCCC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 18:3;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
137399221

> <LIPIDBANK_ID>
-

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

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

> <ALT_SUB_CLASSES>
Epoxy fatty acids [FA0107]; Oxo fatty acids [FA0106]; Unsaturated fatty acids [FA0103]

> <ALT_CLASS_LEVEL4S>
-; -; -

> <TAXONOMY>
10116

> <CITATION>
28831021

$$$$