LMFA02000222
  LIPID_MAPS_STRUCTURE_DATABASE

 23 22  0  0  0  0  0  0  0  0999 V2000
   18.9219    6.2789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6588    5.8533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9219    6.9603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1796    5.8533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4369    6.2788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6943    5.8533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9516    6.2788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2090    5.8533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4663    6.2788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7236    5.8533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9810    6.2788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2383    5.8533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4957    6.2788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7530    5.8533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0104    6.2788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2677    5.8533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5250    6.2788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7824    5.8533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0397    6.2788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2971    5.8533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9810    6.8844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2383    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    6.2790    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  0  0  0  0
 12 22  1  0  0  0  0
 20 23  1  0  0  0  0
M  END
> <LM_ID>
LMFA02000222

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

> <SYSTEMATIC_NAME>
9,10,18-trihydroxy-12-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-; 9,10,18-Trihydroxyoctadec-12-enoic acid

> <INCHI_KEY>
NFBTXRAFZLIQAU-XBXARRHUSA-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+

> <SMILES>
C(CCCCCCCC(O)C(O)C/C=C/CCCCCO)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
185042

> <ABBREVIATION>
FA 18:1;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5312878

> <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>
-

$$$$