LMFA03010272
  LIPID_MAPS_STRUCTURE_DATABASE

 22 22  0     0  0            999 V2000
    7.5995    7.9484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5995    8.9484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6484    9.2573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6484    7.6394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4085    9.5361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2744    9.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1405    9.5361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0065    9.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8725    9.5361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7385    9.0361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4085    7.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2744    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1405    7.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0065    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8725    7.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7385    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6046    7.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4708    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3394   10.2085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1405    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8725   10.5361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  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
  1 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
  3 20  2  0  0  0  0
 14 21  1  6  0  0  0
 10 22  2  0     0  0
M  END
> <LM_ID>
LMFA03010272

> <COMMON_NAME>
2,3-dinor-PGB1

> <SYSTEMATIC_NAME>
9-oxo-15S-hydroxy-8(12),13E-prostadienoic acid

> <FORMULA>
C18H28O4

> <MASS>
308.20

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Prostaglandins [FA0301]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
2,3-dinor-Prostaglandin B1

> <INCHI_KEY>
HMNYHSIISSKMAO-PABFRNLHSA-N

> <INCHI>
InChI=1S/C18H28O4/c1-2-3-4-7-15(19)12-10-14-11-13-17(20)16(14)8-5-6-9-18(21)22/h10,12,15,19H,2-9,11,13H2,1H3,(H,21,22)/b12-10+/t15-/m0/s1

> <SMILES>
C1(/C=C/[C@@H](O)CCCCC)CCC(=O)C=1CCCCC(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 18:4;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
-

> <LIPIDBANK_ID>
-

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

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

> <ALT_SUB_CLASSES>
Carbocyclic fatty acids [FA0114]; Oxo fatty acids [FA0106]; Hydroxy fatty acids [FA0105]; Unsaturated fatty acids [FA0103]

> <ALT_CLASS_LEVEL4S>
-; -; -; -

> <TAXONOMY>
10116

> <CITATION>
5725806

$$$$