LMFA12000305
  LIPID_MAPS_STRUCTURE_DATABASE

 22 22  0     0  0            999 V2000
    6.0606    6.9488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8935    7.4486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7818    6.9488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6146    7.4486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5030    6.9488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3913    7.4486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2241    6.9488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1125    7.4486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9453    6.9488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8336    7.4486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7220    6.9488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5548    7.4486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4431    6.9488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4426    6.9488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2754    7.4486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1637    6.9488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9965    7.4486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8849    6.9488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7732    7.4486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7732    8.4480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6061    6.9488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9428    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  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
 19 21  1  0  0  0  0
 13 22  1  1  0  0  0
 14 22  1  1  0  0  0
M  END
> <LM_ID>
LMFA12000305

> <COMMON_NAME>
cis-(7R,8S)-Epoxy-2-methyleicosane

> <SYSTEMATIC_NAME>
cis-(7R,8S)-Epoxy-2-methyleicosane

> <FORMULA>
C21H42O

> <MASS>
310.32

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Oxygenated hydrocarbons [FA12]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>
(+)-xylinalure

> <INCHI_KEY>
PJHDGXKZPWJTBM-LEWJYISDSA-N

> <INCHI>
InChI=1S/C21H42O/c1-4-5-6-7-8-9-10-11-12-13-17-20-21(22-20)18-15-14-16-19(2)3/h19-21H,4-18H2,1-3H3/t20-,21+/m0/s1

> <SMILES>
CCCCCCCCCCCC[C@@H]1O[C@@H]1CCCCC(C)C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
179412

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
56936257

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
78901

> <CITATION>
-

$$$$