LMFA02000360
  LIPID_MAPS_STRUCTURE_DATABASE

 23 22  0     0  0            999 V2000
   -0.4363   -0.2520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4363   -0.7557    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4363    0.7557    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3154   -0.7557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1949   -0.2520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0745   -0.7557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9539   -0.2520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8334   -0.7557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7129   -0.2520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5924   -0.7557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4718   -0.2520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3513   -0.7557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2309   -0.2520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1104   -0.7557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9898   -0.7557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8693   -0.2520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7488   -0.7557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6283   -0.7557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.5078   -0.2520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.3873   -0.7557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4718    0.7557    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3513   -1.7635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2309    0.7557    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0     0  0
  1  3  2  0     0  0
  1  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 15  2  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 17 18  2  0     0  0
 18 19  1  0     0  0
 19 20  1  0     0  0
 11 21  1  1     0  0
 12 22  1  1     0  0
 13 23  1  1     0  0
M  END
> <LM_ID>
LMFA02000360

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
9S,10R,11R-trihydroxy-12Z,15Z-octadecadienoic acid

> <FORMULA>
C18H32O5

> <MASS>
328.22

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Octadecanoids [FA02]

> <SUB_CLASS>
Other Octadecanoids [FA0200]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KFINXCASWPGHEW-KBDXMMPDSA-N

> <INCHI>
InChI=1S/C18H32O5/c1-2-3-4-6-9-12-15(19)18(23)16(20)13-10-7-5-8-11-14-17(21)22/h3-4,9,12,15-16,18-20,23H,2,5-8,10-11,13-14H2,1H3,(H,21,22)/b4-3-,12-9-/t15-,16+,18+/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 18:2;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44139364

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
174208

> <CITATION>
19341262

$$$$