LMFA02000247
  LIPID_MAPS_STRUCTURE_DATABASE

 22 22  0     0  0            999 V2000
   17.3182    7.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1842    6.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0503    7.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9164    6.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7825    7.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6487    6.8604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.7825    8.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4521    6.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5862    7.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7203    6.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8542    7.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9883    6.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1222    7.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2564    6.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3905    7.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5244    6.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6585    7.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7926    6.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9265    7.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    6.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8542    8.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3904    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  5  7  2  0  0  0  0
  2  1  1  0  0  0  0
  1  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  2  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
 11 21  2  0  0  0  0
 14 22  1  0  0  0  0
 22 15  1  0  0  0  0
M  END
> <LM_ID>
LMFA02000247

> <COMMON_NAME>
12(13)-Epoxy-9-oxo-OME

> <SYSTEMATIC_NAME>
9-oxo-12,13-epoxy-10-octadecenoic acid

> <FORMULA>
C18H30O4

> <MASS>
310.21

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Octadecanoids [FA02]

> <SUB_CLASS>
Other Octadecanoids [FA0200]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
EKODE; trans-EKODE-(E)-Ib

> <INCHI_KEY>
RCMABBHQYMBYKV-BUHFOSPRSA-N

> <INCHI>
InChI=1S/C18H30O4/c1-2-3-7-11-16-17(22-16)14-13-15(19)10-8-5-4-6-9-12-18(20)21/h13-14,16-17H,2-12H2,1H3,(H,20,21)/b14-13+

> <SMILES>
C(CCCC(=O)/C=C/C1OC1CCCCC)CCCC(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0013623

> <CHEBI_ID>
89606

> <ABBREVIATION>
FA 18:3;O2

> <CAYMAN_ID>
10004224

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5283007

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

> <ALT_CLASS_LEVEL4S>
-; -; -

> <TAXONOMY>
9606

> <CITATION>
14718355

$$$$