LMFA02000389
  LIPID_MAPS_STRUCTURE_DATABASE

 22 22  0     0  0            999 V2000
   -0.4308   -0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4308   -0.7461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4308    0.7461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2987   -0.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1670   -0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0352   -0.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9035   -0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7718   -0.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6401   -0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5084   -0.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3767   -0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2449   -0.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1132   -0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9815   -0.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8498   -0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7181   -0.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5863   -0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4546   -0.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3229   -0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.1912   -0.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5084   -1.7461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9780    0.2545    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
 13 14  1  0  0  0  0
 14 15  1  1  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
 10 21  2  0     0  0
 13 12  1  6  0  0  0
 13 22  1  0     0  0
 14 22  1  0     0  0
M  END
> <LM_ID>
LMFA02000389

> <COMMON_NAME>
Trewioidesine A

> <SYSTEMATIC_NAME>
11R,12R-epoxy-8-oxo-9E-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>
XXXKROALTSNGOI-UEWLMQCVSA-N

> <INCHI>
InChI=1S/C18H30O4/c1-2-3-4-8-11-16-17(22-16)14-13-15(19)10-7-5-6-9-12-18(20)21/h13-14,16-17H,2-12H2,1H3,(H,20,21)/b14-13+/t16-,17-/m1/s1

> <SMILES>
C(CCCCCCC(=O)/C=C/[C@H]1O[C@@H]1CCCCCC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 18:3;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171121268

> <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>
212276

> <CITATION>
34525866

$$$$