LMFA04050001
  LIPID_MAPS_STRUCTURE_DATABASE

 26 25  0     0  0            999 V2000
   -0.4402   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4402   -0.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4402    0.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3272   -0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2145   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1019   -0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9891   -0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8765   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7638   -0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6512   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5385   -0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4258   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3131   -0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2004   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0878   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9750   -0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8624   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7497   -0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6371   -0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.5244   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.4117   -0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.2991   -0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.1864   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.0738   -0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7638   -1.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9750   -1.7792    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  1     0  0
 16 26  1  1     0  0
M  END
> <LM_ID>
LMFA04050001

> <COMMON_NAME>
Maresin 1

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

> <FORMULA>
C22H32O4

> <MASS>
360.23

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Docosanoids [FA04]

> <SUB_CLASS>
Maresins [FA0405]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Mar1

> <INCHI_KEY>
HLHYXXBCQOUTGK-FHCQLJOMSA-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>
138249

> <ABBREVIATION>
FA 22:6;O2

> <CAYMAN_ID>
10878

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
60201795

> <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>
22253477

$$$$