LMFA03030011
  LIPID_MAPS_STRUCTURE_DATABASE

 30 30  0  0  0  0  0  0  0  0999 V2000
    5.7864    7.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7864    6.5563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5424    6.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2953    6.5563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2953    7.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5424    7.8637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0496    6.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8026    6.5563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8026    7.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0496    7.8637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5599    6.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3159    6.5563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0717    6.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8276    6.5563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5837    6.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3410    6.5563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6751    7.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4326    7.8652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1885    7.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9444    7.8652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7001    7.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5599    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5424    8.7363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4874    7.8835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7002    6.7473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    6.2136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9966    8.3013    0.0000 D   0  0  0  0  0  0  0  0  0  0  0  0
   10.8506    8.2832    0.0000 D   0  0  0  0  0  0  0  0  0  0  0  0
   10.7722    7.0127    0.0000 D   0  0  0  0  0  0  0  0  0  0  0  0
   11.6245    6.9929    0.0000 D   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  2  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  1  6  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
 18 27  1  0  0  0  0
 18 28  1  0  0  0  0
 19 29  1  0  0  0  0
 19 30  1  0  0  0  0
M  END
> <LM_ID>
LMFA03030011

> <COMMON_NAME>
11-dehydro-TXB2-d4

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

> <FORMULA>
C20H28D4O6

> <MASS>
372.24

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Thromboxanes [FA0303]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
11-dehydro-Thromboxane B2-d4

> <INCHI_KEY>
KJYIVXDPWBUJBQ-DDHOZZTNSA-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/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,23,24)/b7-4-,13-12+/t15-,16-,17-,18+/m0/s1/i5D2,8D2

> <SMILES>
C1[C@H](O)[C@H](C/C=C\C([2H])([2H])C([2H])([2H])CC(=O)O)[C@@H](/C=C/[C@@H](O)CCCCC)OC1=O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
319500

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
24778496

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630

> <CITATION>
-

$$$$