LMFA12000316
  LIPID_MAPS_STRUCTURE_DATABASE

 23 24  0     0  0            999 V2000
   23.5583    6.9963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7330    7.4913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8526    6.9963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8622    6.9963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4000    6.0607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.0368    7.4913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1564    6.9963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1660    6.9963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3406    7.4913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4602    6.9963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5912    6.0607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4698    6.9963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6444    7.4913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7641    6.9963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8837    7.4913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0583    6.9963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1779    7.4913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3526    6.9963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4722    7.4913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6469    6.9963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7665    7.4913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9411    6.9963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    7.4913    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  6  0  0  0
  3  5  1  6  0  0  0
  4  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
  8 11  1  1  0  0  0
  7 11  1  1  0  0  0
 10 12  2  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
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
> <LM_ID>
LMFA12000316

> <COMMON_NAME>
(3R,4S)-(6S,7R)-Diepoxy-9Z-heneicosene

> <SYSTEMATIC_NAME>
(3R,4S)-(6S,7R)-Diepoxy-9Z-heneicosene

> <FORMULA>
C21H38O2

> <MASS>
322.29

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Oxygenated hydrocarbons [FA12]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
QKTHTQIXAOUOKJ-QIDQEWRLSA-N

> <INCHI>
InChI=1S/C21H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-21(23-19)17-20-18(4-2)22-20/h14-15,18-21H,3-13,16-17H2,1-2H3/b15-14-/t18-,19-,20+,21+/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10758214

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
497517

> <CITATION>
11944824

$$$$