LMFA04030011
  LIPID_MAPS_STRUCTURE_DATABASE

 27 26  0     0  0            999 V2000
   25.0606    7.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9584    7.2564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.0606    8.6050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.1562    7.2564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2514    7.7748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3466    7.2564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4418    7.2564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5372    7.7748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6322    7.2564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7274    7.7748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8227    7.2564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9179    7.7748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0132    7.2564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1083    7.7748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2035    7.2564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2987    7.2564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3940    7.7748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4892    7.2564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5843    7.7748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6796    7.2564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7748    7.7748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8699    7.7748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9653    7.2564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0605    7.7748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6717    6.3604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.7274    8.6707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5843    8.6312    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  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  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
 10 26  1  1  0  0  0
 19 27  1  6  0  0  0
M  END
> <LM_ID>
LMFA04030011

> <COMMON_NAME>
Resolvin D1

> <SYSTEMATIC_NAME>
7S,8R,17S-trihydroxy-4Z,9E,11E,13Z,15E,19Z-docosahexaenoic acid

> <FORMULA>
C22H32O5

> <MASS>
376.22

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Docosanoids [FA04]

> <SUB_CLASS>
Resolvin Ds [FA0403]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
RvD1

> <INCHI_KEY>
OIWTWACQMDFHJG-CCFUIAGSSA-N

> <INCHI>
InChI=1S/C22H32O5/c1-2-3-9-14-19(23)15-10-6-4-5-7-11-16-20(24)21(25)17-12-8-13-18-22(26)27/h3-12,15-16,19-21,23-25H,2,13-14,17-18H2,1H3,(H,26,27)/b6-4-,7-5+,9-3-,12-8-,15-10+,16-11+/t19-,20+,21-/m0/s1

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

> <KEGG_ID>
C18178

> <HMDB_ID>
HMDB03733

> <CHEBI_ID>
81564

> <ABBREVIATION>
FA 22:6;O3

> <CAYMAN_ID>
10012554

> <SWISSLIPIDS_ID>
SLM:000501463

> <PUBCHEM_COMPOUND_ID>
44251266

> <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>
9606

> <CITATION>
35292355

$$$$