LMFA01030398
  LIPID_MAPS_STRUCTURE_DATABASE

 23 22  0  0  0  0  0  0  0  0999 V2000
   19.5420    5.6642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2635    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5420    6.3313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.8152    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0881    5.6642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3610    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6339    5.6642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9068    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1796    5.6642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4525    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7254    5.6642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9983    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2712    5.6642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5441    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8169    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0898    5.6642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3627    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6356    5.6642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9085    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1814    5.6642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4542    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7271    5.6642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.2475    0.0000 C   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  2  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>
LMFA01030398

> <COMMON_NAME>
12Z-heneicosenoic acid

> <SYSTEMATIC_NAME>
12Z-heneicosenoic acid

> <FORMULA>
C21H40O2

> <MASS>
324.30

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Unsaturated fatty acids [FA0103]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
C21:1n-9

> <INCHI_KEY>
VXCUECWODRDENC-KTKRTIGZSA-N

> <INCHI>
InChI=1S/C21H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23/h9-10H,2-8,11-20H2,1H3,(H,22,23)/b10-9-

> <SMILES>
C(CCCCCCCCCC/C=C\CCCCCCCC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
187962

> <ABBREVIATION>
FA 21:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5312547

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$