LMFA03030020
  LIPID_MAPS_STRUCTURE_DATABASE

 26 26  0     0  0            999 V2000
   15.5923    8.9420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4110    8.9420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4110    7.9095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3042    7.3933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1954    7.9095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1954    8.9420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3042    9.4565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0887    7.3933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9802    7.9095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9802    8.9420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0887    9.4565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8751    7.3933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7700    7.9095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6648    7.3933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5599    7.9095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4546    7.3933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3496    7.9095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0127    8.9420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9077    9.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8026    8.9420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6974    9.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8751    6.3607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5923    8.1194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3412    9.3743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3042   10.2812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7327    7.5179    0.0000 O   0  0  0  0  0  0  0  0  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  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  1  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
  6 11  1  6  0  0  0
  9 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
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 10 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  1  1  0  0  0  0
 12 22  2  0  0  0  0
  1 23  2  0  0  0  0
  1 24  1  0  0  0  0
  7 25  1  6  0  0  0
  3 26  1  4  0  0  0
M  END
> <LM_ID>
LMFA03030020

> <COMMON_NAME>
15-Keto TXB2

> <SYSTEMATIC_NAME>
9S,11-Dihydroxy-15-oxothrombox-5Z,13E-dien-1-oic acid

> <FORMULA>
C20H32O6

> <MASS>
368.22

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Thromboxanes [FA0303]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
15-Keto-thromboxane B2

> <INCHI_KEY>
RVOAIZNEVKIHQH-XNDJQNEPSA-N

> <INCHI>
InChI=1S/C20H32O6/c1-2-3-6-9-15(21)12-13-18-16(17(22)14-20(25)26-18)10-7-4-5-8-11-19(23)24/h4,7,12-13,16-18,20,22,25H,2-3,5-6,8-11,14H2,1H3,(H,23,24)/b7-4-,13-12+/t16-,17-,18+,20?/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 20:4;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
178328120

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

> <ALT_CLASS_LEVEL4S>
-; -; -; -

> <TAXONOMY>
9940

> <CITATION>
-

$$$$