LMFA02000001
  LIPID_MAPS_STRUCTURE_DATABASE

 21 21  0     0  0            999 V2000
   21.4578    6.8796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3565    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.4578    7.7107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5525    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6467    6.8795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7410    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8352    6.8795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9295    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0238    6.8795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1181    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2123    6.8795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3066    6.8795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4007    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4950    6.8795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5893    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6835    6.8795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7778    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8721    6.8795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9663    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    6.8795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7594    7.4924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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  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  1  1  0  0  0
 12 21  1  1  0  0  0
M  END
> <LM_ID>
LMFA02000001

> <COMMON_NAME>
9S,10R-epoxy-stearic acid

> <SYSTEMATIC_NAME>
9S,10R-epoxy-octadecanoic acid

> <FORMULA>
C18H34O3

> <MASS>
298.25

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Octadecanoids [FA02]

> <SUB_CLASS>
Other Octadecanoids [FA0200]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
IMYZYCNQZDBZBQ-SJORKVTESA-N

> <INCHI>
InChI=1S/C18H34O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h16-17H,2-15H2,1H3,(H,19,20)/t16-,17+/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
138262

> <ABBREVIATION>
FA 18:1;O

> <CAYMAN_ID>
36442

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
119250

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Epoxy fatty acids [FA0107]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
4754

> <CITATION>
8926076

$$$$