LMFA04050003
  LIPID_MAPS_STRUCTURE_DATABASE

 26 25  0     0  0            999 V2000
   24.5933    7.8772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4691    7.3716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.5933    8.8885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.7113    7.3716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8287    7.8772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9462    7.3716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0636    7.3716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1811    7.8772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2985    7.3716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4160    7.8772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5335    7.3716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6509    7.8772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7684    7.3716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8858    7.8772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0034    7.3716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1207    7.8772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2383    7.3716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3558    7.8772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4732    7.8772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5907    7.3716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7081    7.8772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8255    7.8772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9430    7.3716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0605    7.8772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2985    6.3605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1207    8.8885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0     0  0
  1  3  2  0     0  0
  1  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  7  2  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10 11  2  0     0  0
 11 12  1  0     0  0
 12 13  2  0     0  0
 13 14  1  0     0  0
 14 15  2  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 17 18  1  0     0  0
 18 19  2  0     0  0
 19 20  1  0     0  0
 20 21  1  0     0  0
 21 22  2  0     0  0
 22 23  1  0     0  0
 23 24  1  0     0  0
  9 25  1  6     0  0
 16 26  1  6     0  0
M  END
> <LM_ID>
LMFA04050003

> <COMMON_NAME>
(7S)-Maresin 1

> <SYSTEMATIC_NAME>
7S,14S-dihydroxy-4Z,8E,10E,12E,16Z,19Z-docosahexaenoic acid

> <FORMULA>
C22H32O4

> <MASS>
360.23

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Docosanoids [FA04]

> <SUB_CLASS>
Maresins [FA0405]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
7-epi Maresin 1

> <INCHI_KEY>
HLHYXXBCQOUTGK-KGYDJRPRSA-N

> <INCHI>
InChI=1S/C22H32O4/c1-2-3-4-5-6-10-15-20(23)16-11-7-8-12-17-21(24)18-13-9-14-19-22(25)26/h3-4,6-13,16-17,20-21,23-24H,2,5,14-15,18-19H2,1H3,(H,25,26)/b4-3-,8-7+,10-6-,13-9-,16-11+,17-12+/t20-,21+/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 22:6;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42607314

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]; Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]; Hydroxy fatty acids [FA0105]

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
10090

> <CITATION>
19103881

$$$$