LMFA04050004
  LIPID_MAPS_STRUCTURE_DATABASE

 26 25  0     0  0            999 V2000
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    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
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  -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
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  -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
  -11.0878    0.7625    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  2  0     0  0
 10 11  1  0     0  0
 11 12  2  0     0  0
 12 13  1  0     0  0
 13 14  2  0     0  0
 14 15  1  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
 15 25  1  6     0  0
 16 26  1  1     0  0
M  END
> <LM_ID>
LMFA04050004

> <COMMON_NAME>
Maresin 2

> <SYSTEMATIC_NAME>
13R,14S-dihydroxy-4Z,7Z,9E,11E,16Z,19Z-docosahexaenoic acid

> <FORMULA>
C22H32O4

> <MASS>
360.23

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Docosanoids [FA04]

> <SUB_CLASS>
Maresins [FA0405]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
13R,14S-diHDHA; 13,14-dihydroxydocosahexaenoic acid; Mar2

> <INCHI_KEY>
ALWYOLKNLLFCAY-GYROAIJESA-N

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

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
138248

> <ABBREVIATION>
FA 22:6;O2

> <CAYMAN_ID>
16369

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
101894912

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9606

> <CITATION>
25036362

$$$$