LMFA12000314
  LIPID_MAPS_STRUCTURE_DATABASE

 23 24  0     0  0            999 V2000
   20.0551    6.4277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1736    6.9236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1819    6.9236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3554    6.4277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4740    6.9236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6777    7.8052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4821    6.9236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6557    6.4277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7742    6.9236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8925    6.4277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0661    6.9236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1847    6.4277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3581    6.9236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4767    6.4277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6501    6.9236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7684    6.4277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9421    6.9236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    6.4277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9780    7.8052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.8817    6.9236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8734    6.9236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7813    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6628    6.9713    0.0000 C   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  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
  1 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
  2  6  1  6  0  0  0
  5 19  1  6  0  0  0
  3  6  1  6  0  0  0
  7 19  1  6  0  0  0
M  END
> <LM_ID>
LMFA12000314

> <COMMON_NAME>
3Z6R7S9R10S-leucomalure

> <SYSTEMATIC_NAME>
cis-6R,7S-cis-9R,10S-Diepoxy-3Z-heneicosene

> <FORMULA>
C21H38O2

> <MASS>
322.29

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Oxygenated hydrocarbons [FA12]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
TWQDAGQBBAFCRD-DJJHFQMCSA-N

> <INCHI>
InChI=1S/C21H38O2/c1-3-5-7-8-9-10-11-12-14-16-19-21(23-19)17-20-18(22-20)15-13-6-4-2/h6,13,18-21H,3-5,7-12,14-17H2,1-2H3/b13-6-/t18-,19+,20+,21-/m1/s1

> <SMILES>
C(/C=C\CC)[C@H]1O[C@H]1C[C@H]1O[C@H]1CCCCCCCCCCC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
12038843

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
688415

> <CITATION>
-

$$$$