LMFA02000165
  LIPID_MAPS_STRUCTURE_DATABASE

 23 22  0  0  0  0  0  0  0  0999 V2000
   10.7157    6.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1447    6.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4302    6.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8592    6.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5737    6.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2882    6.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0028    6.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7173    6.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4318    6.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1463    6.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8608    6.0724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1463    7.3099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0012    6.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2867    6.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5723    6.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8578    6.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434    6.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4289    6.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7144    6.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2867    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5723    7.3098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0012    7.3098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 10 12  2  0  0  0  0
 13  1  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 14 21  1  0  0  0  0
 15 22  1  0  0  0  0
 13 23  1  0  0  0  0
M  END
> <LM_ID>
LMFA02000165

> <COMMON_NAME>
11,12,13-TriHOME

> <SYSTEMATIC_NAME>
11,12,13-trihydroxy-9-octadecenoic acid

> <FORMULA>
C18H34O5

> <MASS>
330.24

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Octadecanoids [FA02]

> <SUB_CLASS>
Other Octadecanoids [FA0200]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
WWLVUQOGFYZQHT-JLHYYAGUSA-N

> <INCHI>
InChI=1S/C18H34O5/c1-2-3-9-12-15(19)18(23)16(20)13-10-7-5-4-6-8-11-14-17(21)22/h10,13,15-16,18-20,23H,2-9,11-12,14H2,1H3,(H,21,22)/b13-10+

> <SMILES>
C(/C(O)C(O)C(O)CCCCC)=C\CCCCCCCC(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
165804

> <ABBREVIATION>
FA 18:1;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5282962

> <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>
-

> <CITATION>
-

$$$$