LMFA03010020
  LIPID_MAPS_STRUCTURE_DATABASE

 24 24  0     0  0            999 V2000
    7.6123    7.9616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6123    8.9701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6533    9.2816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0605    8.4658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6533    7.6501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4281    9.5628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3013    9.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4281    7.3689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3013    7.8731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1747    7.3689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0480    7.8731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9212    7.3689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7945    7.8731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6678    7.3689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5412    7.8731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1747    6.3605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3097    9.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1831    9.5628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0563    9.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9297    9.5628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8030    9.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6762    9.5628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8030    8.2518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3416    6.6910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  2  6  1  6  0  0  0
  6  7  1  0  0  0  0
  1  8  2  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  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 10 16  1  6  0  0  0
  7 17  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
  5 24  2  0  0  0  0
M  END
> <LM_ID>
LMFA03010020

> <COMMON_NAME>
delta-12-PGJ2

> <SYSTEMATIC_NAME>
11-oxo-15S-hydroxy-5Z,9Z,12E-prostatrienoic acid

> <FORMULA>
C20H30O4

> <MASS>
334.21

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Prostaglandins [FA0301]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
delta-12-Prostaglandin J2

> <INCHI_KEY>
TUXFWOHFPFBNEJ-GJGHEGAFSA-N

> <INCHI>
InChI=1S/C20H30O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h4,7,12,14-17,21H,2-3,5-6,8-11,13H2,1H3,(H,23,24)/b7-4-,18-14+/t16-,17-/m0/s1

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

> <KEGG_ID>
C05958

> <HMDB_ID>
HMDB0004238

> <CHEBI_ID>
28130

> <ABBREVIATION>
FA 20:5;O2

> <CAYMAN_ID>
18550

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5280885

> <LIPIDBANK_ID>
XPR1726

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9606

> <CITATION>
6578214

$$$$