LMFA05000605
  LIPID_MAPS_STRUCTURE_DATABASE

 22 22  0  0  0  0            999 V2000
    6.4718  -10.1079    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4718  -10.9229    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7882   -9.6873    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7882  -11.3435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0785  -10.1079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0785  -10.9229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2078   -9.6873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9204  -10.1030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2078  -11.3435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9175  -10.9492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3371  -10.9492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6536  -11.3435    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.7829  -10.9492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0732  -11.3435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2287  -10.9492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5190  -11.3435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6536  -12.1847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7882   -8.8723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3423  -11.3435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6368   -9.6937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6405   -8.8687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3494  -10.1095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  1  7  1  6  0  0  0
  2  1  1  0  0  0  0
  4  2  1  0  0  0  0
  2  9  1  1  0  0  0
  5  3  1  0  0  0  0
  3 18  1  6  0  0  0
  6  4  1  0  0  0  0
  6  5  1  0  0  0  0
 19  6  1  0  0  0  0
  8  7  1  0  0  0  0
 10  9  2  0  0  0  0
 12 10  1  0  0  0  0
 12 11  1  0  0  0  0
 14 11  1  0  0  0  0
 12 17  1  6  0  0  0
 14 13  1  0  0  0  0
 16 13  1  0  0  0  0
 16 15  1  0  0  0  0
 20  8  1  0  0  0  0
 21 20  2  0  0  0  0
 22 20  1  0  0  0  0
M  END
> <LM_ID>
LMFA05000605

> <COMMON_NAME>
2,3,4,5-tetranor-thromboxane B1

> <SYSTEMATIC_NAME>
(5R)-4-(2-carboxyethyl)-2,4-dideoxy-5-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-D-erythro-pentopyranose

> <FORMULA>
C16H28O6

> <MASS>
316.19

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty alcohols [FA05]

> <SUB_CLASS>
-

> <CLASS_LEVEL4>
-

> <SYNONYMS>
2,3,4,5-tetranor-TXB1;2,3,4,5-tetranorthromboxane B1;tetranor-TXB1

> <INCHI_KEY>
AXWSHCHWXXNNKN-GIGVETMCSA-N

> <INCHI>
InChI=1S/C16H28O6/c1-2-3-4-5-11(17)6-8-14-12(7-9-15(19)20)13(18)10-16(21)22-14/h6,8,11-14,16-18,21H,2-5,7,9-10H2,1H3,(H,19,20)/b8-6+/t11-,12-,13-,14+,16?/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
74003

> <ABBREVIATION>
FOH 16:3;O5

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
71581077

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$