LMFA03030008
  LIPID_MAPS_STRUCTURE_DATABASE

 26 26  0     0  0            999 V2000
   15.7961    9.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6955    8.5475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7961    9.8986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8900    8.5475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9837    9.0669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0773    8.5475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1709    9.0669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2645    8.5475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3580    9.0669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4519    8.5475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5454    9.0669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6390    8.5475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6390    7.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5454    7.1157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4519    7.6191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3580    7.1157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2645    7.6191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1709    7.1157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0773    7.6191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9837    7.1157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8900    7.6191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7965    7.1157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7029    7.6191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5454    9.8060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    7.1788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1709    6.3606    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  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10  9  1  6  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
 15 16  1  1  0  0  0
 16 17  2  0  0  0  0
 17 18  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  1  0  0  0  0
 22 23  1  0  0  0  0
 10 15  1  0  0  0  0
 11 24  1  6  0  0  0
 13 25  1  4  0  0  0
 18 26  1  6  0  0  0
M  END
> <LM_ID>
LMFA03030008

> <COMMON_NAME>
TXB1

> <SYSTEMATIC_NAME>
9S,11,15S-trihydroxy-thrombox-13E-enoic acid

> <FORMULA>
C20H36O6

> <MASS>
372.25

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Thromboxanes [FA0303]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Thromboxane B1

> <INCHI_KEY>
JSDWWNLTJCCSAV-VZBVYBAISA-N

> <INCHI>
InChI=1S/C20H36O6/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/h12-13,15-18,20-22,25H,2-11,14H2,1H3,(H,23,24)/b13-12+/t15-,16-,17-,18+,20?/m0/s1

> <SMILES>
C(CCCCCC[C@@H]1[C@@H](/C=C/[C@@H](O)CCCCC)OC(O)C[C@@H]1O)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 20:2;O4

> <CAYMAN_ID>
10006610

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
71668258

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
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]

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

> <ALT_CLASS_LEVEL4S>
-; -; -

> <TAXONOMY>
9606

> <CITATION>
952987

$$$$