LMFA01030858
  LIPID_MAPS_STRUCTURE_DATABASE

 22 21  0  0  0  0  0  0  0  0999 V2000
   18.6950    5.6604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4103    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6950    6.4864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9746    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2538    5.6604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5329    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8121    5.6604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0913    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3705    5.6604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6498    5.6604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9289    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2081    5.6604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4873    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7665    5.6604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0457    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3248    5.6604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6041    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8833    5.6604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1625    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4416    5.6604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7208    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.6604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  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  2  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
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
> <LM_ID>
LMFA01030858

> <COMMON_NAME>
20:1(7Z)

> <SYSTEMATIC_NAME>
7Z-eicosenoic acid

> <FORMULA>
C20H38O2

> <MASS>
310.29

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Unsaturated fatty acids [FA0103]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
C20:1n-13

> <INCHI_KEY>
HZFZCBADRWXPQW-YPKPFQOOSA-N

> <INCHI>
InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h13-14H,2-12,15-19H2,1H3,(H,21,22)/b14-13-

> <SMILES>
C(CCCCC/C=C\CCCCCCCCCCCC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
180272

> <ABBREVIATION>
FA 20:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
52921829

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
71812

> <CITATION>
20549377

$$$$