LMFA03030018
  LIPID_MAPS_STRUCTURE_DATABASE

 26 26  0     0  0            999 V2000
    6.9852    8.8996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9852    7.8840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8651    7.3761    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7415    7.8840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7415    8.8996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8651    9.4057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6196    7.3761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4960    7.8840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4960    8.8996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6196    9.4057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3777    7.3761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2575    7.8840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1374    7.3761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0170    7.8840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8972    7.3761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7787    7.8840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5117    8.8996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3933    9.4075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2732    8.8996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1529    9.4075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0328    8.8996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3777    6.3605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8651   10.4214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9490    9.4287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0328    8.1062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945    7.4851    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  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  4  7  1  1  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
  5 10  1  6  0  0  0
  8 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  0  0  0  0
  9 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
 11 22  2  0  0  0  0
  6 23  1  6  0  0  0
 21 24  1  0  0  0  0
 21 25  2  0  0  0  0
  2 26  2  0  0  0  0
M  END
> <LM_ID>
LMFA03030018

> <COMMON_NAME>
11-Dehydro-13,14-dihydro-15-keto-thromboxane B2

> <SYSTEMATIC_NAME>
9S-hydroxy-11,15-dioxo-thromboxa-5Z-en-1-oic acid

> <FORMULA>
C20H32O6

> <MASS>
368.22

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Thromboxanes [FA0303]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
11-Dehydro-13,14-dihydro-15-keto-TxB2; 15KD 11-dehydro TxB2

> <INCHI_KEY>
INLXNIDWQWYGDW-OKYBNHCASA-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/h4,7,16-18,22H,2-3,5-6,8-14H2,1H3,(H,23,24)/b7-4-/t16-,17-,18+/m0/s1

> <SMILES>
C1[C@H](O)[C@H](C/C=C\CCCC(=O)O)[C@@H](CCC(=O)CCCCC)OC1=O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 20:4;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
129010935

> <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>
9606

> <CITATION>
3087234

$$$$