LMFA03030010
  LIPID_MAPS_STRUCTURE_DATABASE

 30 30  0  0  0  0  0  0  0  0999 V2000
   13.0486    7.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1282    7.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1282    6.5576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8837    6.1209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6377    6.5576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6377    7.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8837    7.8662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3931    6.1209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1472    6.5576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1472    7.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3931    7.8662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9043    6.1209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6613    6.5576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4181    6.1209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1752    6.5576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9321    6.1209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6891    6.5576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0207    7.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7777    7.8677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5347    7.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2916    7.8677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9043    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0486    6.7353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6819    7.7967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8837    8.5637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    6.2264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2272    8.4181    0.0000 D   0  0  0  0  0  0  0  0  0  0  0  0
   11.2796    8.3697    0.0000 D   0  0  0  0  0  0  0  0  0  0  0  0
   11.1083    7.0047    0.0000 D   0  0  0  0  0  0  0  0  0  0  0  0
   12.0056    6.9601    0.0000 D   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  1  6  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
 19 27  1  0  0  0  0
 19 28  1  0  0  0  0
 20 29  1  0  0  0  0
 20 30  1  0  0  0  0
M  END
> <LM_ID>
LMFA03030010

> <COMMON_NAME>
TXB2-d4

> <SYSTEMATIC_NAME>
9S,11,15S-trihydroxy-thromboxa-5Z,13E-dien-1-oic acid-d4

> <FORMULA>
C20H30D4O6

> <MASS>
374.26

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Thromboxanes [FA0303]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Thromboxane B2-d4

> <INCHI_KEY>
XNRNNGPBEPRNAR-LCGOHBJFSA-N

> <INCHI>
InChI=1S/C20H34O6/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/h4,7,12-13,15-18,20-22,25H,2-3,5-6,8-11,14H2,1H3,(H,23,24)/b7-4-,13-12+/t15-,16-,17-,18+,20?/m0/s1/i5D2,8D2

> <SMILES>
C(O)(=O)CC([2H])([2H])C([2H])([2H])/C=C\C[C@H]1[C@@H](O)CC(O)O[C@@H]1/C=C/[C@@H](O)CCCCC

> <KEGG_ID>
C05963

> <HMDB_ID>
HMDB03252

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
319030

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
16061116

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630

> <CITATION>
-

$$$$