LMFA01030089
  LIPID_MAPS_STRUCTURE_DATABASE

 24 23  0     0  0            999 V2000
    6.0607    7.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    6.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9267    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7928    6.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7928    7.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9267    8.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6587    8.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5248    7.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3909    8.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2569    7.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1230    8.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9891    7.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8550    8.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7211    7.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5871    8.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4532    7.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6587    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5248    6.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3909    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2569    6.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3192    8.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1851    7.8607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3192    9.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1229    6.3608    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
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17  4  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 16  1  0  0  0  0
 22 21  1  0  0  0  0
 21 23  2  0  0  0  0
 24 20  1  0  0  0  0
M  END
> <LM_ID>
LMFA01030089

> <COMMON_NAME>
cis-erucic acid

> <SYSTEMATIC_NAME>
13Z-docosenoic acid

> <FORMULA>
C22H42O2

> <MASS>
338.32

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Unsaturated fatty acids [FA0103]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
cis-13-docosenoic acid; C22:1n-9

> <INCHI_KEY>
DPUOLQHDNGRHBS-KTKRTIGZSA-N

> <INCHI>
InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H,23,24)/b10-9-

> <SMILES>
C(=C/CCCCCCCCCCCC(=O)O)/CCCCCCCC

> <KEGG_ID>
C08316

> <HMDB_ID>
HMDB0002068

> <CHEBI_ID>
28792

> <ABBREVIATION>
FA 22:1

> <CAYMAN_ID>
90175

> <SWISSLIPIDS_ID>
SLM:000001118

> <PUBCHEM_COMPOUND_ID>
5281116

> <LIPIDBANK_ID>
DFA0128

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9606; 3708

> <CITATION>
20671299

$$$$