LMFA02000223
  LIPID_MAPS_STRUCTURE_DATABASE

 23 22  0  0  0  0  0  0  0  0999 V2000
   19.0058    6.2853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7473    5.8571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0058    6.9710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2588    5.8571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5115    6.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7642    5.8571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0169    6.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2695    5.8571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5222    6.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7749    5.8571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0276    6.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2803    5.8571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5330    6.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7856    5.8571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0383    5.8571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2910    6.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5437    5.8571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7964    6.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0490    5.8571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3017    6.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0276    6.8947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2803    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.8568    0.0000 O   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  1  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
 12 22  1  1  0  0  0
 20 23  1  0  0  0  0
M  END
> <LM_ID>
LMFA02000223

> <COMMON_NAME>
9,10,18-TriHOME(12Z)

> <SYSTEMATIC_NAME>
(+)-9,10,18-trihydroxy-12Z-octadecenoic acid

> <FORMULA>
C18H34O5

> <MASS>
330.24

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Octadecanoids [FA02]

> <SUB_CLASS>
Other Octadecanoids [FA0200]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
12-Octadecenoic acid, 9,10,18-trihydroxy-, (Z)-threo-(+)-

> <INCHI_KEY>
NFBTXRAFZLIQAU-IYZIGIFBSA-N

> <INCHI>
InChI=1S/C18H34O5/c19-15-11-7-2-1-4-8-12-16(20)17(21)13-9-5-3-6-10-14-18(22)23/h4,8,16-17,19-21H,1-3,5-7,9-15H2,(H,22,23)/b8-4-/t16-,17-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
183593

> <ABBREVIATION>
FA 18:1;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5312879

> <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>
-

$$$$