LMFA04030001
  LIPID_MAPS_STRUCTURE_DATABASE

 27 26  0     0  0            999 V2000
   25.1178    7.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0182    7.2592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.1178    8.6118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.2107    7.2592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3033    7.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3956    7.2592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4882    7.2592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5807    7.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6732    7.2592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7657    7.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8583    7.2592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9506    7.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0431    7.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1356    7.2592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2282    7.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3205    7.2592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4132    7.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5056    7.2592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5981    7.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6906    7.2592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7831    7.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8753    7.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9681    7.2592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0605    7.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7128    6.4399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5056    6.3605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5584    8.6380    0.0000 O   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  2  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  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  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  2  0  0  0  0
 18 17  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  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
  9 25  1  6  0  0  0
 18 26  1  1  0  0  0
 19 27  1  6  0  0  0
M  END
> <LM_ID>
LMFA04030001

> <COMMON_NAME>
Resolvin D2

> <SYSTEMATIC_NAME>
7S,16R,17S-trihydroxy-4Z,8E,10Z,12E,14E,19Z-docosahexaenoic acid

> <FORMULA>
C22H32O5

> <MASS>
376.22

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Docosanoids [FA04]

> <SUB_CLASS>
Resolvin Ds [FA0403]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
RvD2

> <INCHI_KEY>
IKFAUGXNBOBQDM-XFMPMKITSA-N

> <INCHI>
InChI=1S/C22H32O5/c1-2-3-9-16-20(24)21(25)17-12-7-5-4-6-10-14-19(23)15-11-8-13-18-22(26)27/h3-12,14,17,19-21,23-25H,2,13,15-16,18H2,1H3,(H,26,27)/b6-4-,7-5+,9-3-,11-8-,14-10+,17-12+/t19-,20+,21-/m1/s1

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

> <KEGG_ID>
C18179

> <HMDB_ID>
HMDB02294

> <CHEBI_ID>
81565

> <ABBREVIATION>
FA 22:6;O3

> <CAYMAN_ID>
10007279

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11383310

> <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>
19865173

$$$$