LMFA02000482
  LIPID_MAPS_STRUCTURE_DATABASE

 21 20  0     0  0            999 V2000
   -0.4396   -0.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4396   -0.7614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4396    0.7614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3253   -0.7614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2114   -0.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0975   -0.7614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9836   -0.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8697   -0.7614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7558   -0.7614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6419   -0.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5280   -0.7614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4141   -0.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3002   -0.7614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1863   -0.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0724   -0.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9585   -0.7614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8446   -0.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7307   -0.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6168   -0.7614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.5029   -0.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5280   -1.7767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  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  2  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  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 11 21  1  0  0  0  0
M  END
> <LM_ID>
LMFA02000482

> <COMMON_NAME>
9-HOTE

> <SYSTEMATIC_NAME>
9-hydroxy-6Z,10E,12Z,15Z-octadecatetraenoic acid

> <FORMULA>
C18H28O3

> <MASS>
292.20

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Octadecanoids [FA02]

> <SUB_CLASS>
Other Octadecanoids [FA0200]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YHIIBURURBVQIG-WYOMFYCUSA-N

> <INCHI>
InChI=1S/C18H28O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h3-4,6,8-9,11-12,14,17,19H,2,5,7,10,13,15-16H2,1H3,(H,20,21)/b4-3-,8-6-,12-9-,14-11+

> <SMILES>
C(CCCC/C=C\CC(O)/C=C/C=C\C/C=C\CC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 18:4;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44222906

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]; Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]; Hydroxy fatty acids [FA0105]

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
32630

> <CITATION>
-

$$$$