LMFA02000231
  LIPID_MAPS_STRUCTURE_DATABASE

 25 24  0  0  0  0  0  0  0  0999 V2000
   18.1416    6.2847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9085    5.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1416    6.9940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3688    5.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5957    6.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8227    5.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0496    6.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2766    5.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5035    6.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7305    5.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9575    6.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1844    5.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4114    6.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6383    5.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8653    5.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0922    6.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3192    5.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5461    6.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7731    5.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9575    6.9150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5274    6.6136    0.0000 D   0  0  0  0  0  0  0  0  0  0  0  0
   10.1006    5.3794    0.0000 D   0  0  0  0  0  0  0  0  0  0  0  0
    8.4122    5.3885    0.0000 D   0  0  0  0  0  0  0  0  0  0  0  0
   11.1844    5.2475    0.0000 D   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
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  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
 11 21  1  1  0  0  0
 11 22  1  6  0  0  0
 14 23  1  0  0  0  0
 15 24  1  0  0  0  0
 12 25  1  0  0  0  0
M  END
> <LM_ID>
LMFA02000231

> <COMMON_NAME>
9S-HODE-d4

> <SYSTEMATIC_NAME>
9S-hydroxy-10E,12Z-octadecadienoic acid-d4

> <FORMULA>
C18H28D4O3

> <MASS>
300.26

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Octadecanoids [FA02]

> <SUB_CLASS>
Other Octadecanoids [FA0200]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
NPDSHTNEKLQQIJ-VKLCZNAWSA-N

> <INCHI>
InChI=1S/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6-,14-11+/t17-/m1/s1/i6D,8D,14D,17D

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

> <KEGG_ID>
C14767

> <HMDB_ID>
HMDB04670

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
25368

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
16061038

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630

> <CITATION>
-

$$$$