LMFA02000220
  LIPID_MAPS_STRUCTURE_DATABASE

 23 22  0  0  0  0  0  0  0  0999 V2000
   17.8010    6.2933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5482    5.8617    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8010    6.9841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0483    5.8617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2953    6.2933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5423    5.8617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7892    6.2933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0362    5.8617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2832    6.2933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5302    5.8617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7772    6.2933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0241    5.8617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2711    6.2933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5181    5.8617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7651    6.2933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0121    5.8617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2591    6.2933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5060    5.8617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7530    6.2933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.8617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7772    6.9073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5181    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7651    6.9073    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  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  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
 14 22  1  0  0  0  0
 15 23  1  0  0  0  0
M  END
> <LM_ID>
LMFA02000220

> <COMMON_NAME>
9,12,13,TriHODE

> <SYSTEMATIC_NAME>
9,12,13-trihydroxy-10,15-octadecadienoic acid

> <FORMULA>
C18H32O5

> <MASS>
328.22

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Octadecanoids [FA02]

> <SUB_CLASS>
Other Octadecanoids [FA0200]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
10,15-Octadecadienoic acid, 9,12,13-trihydroxy-

> <INCHI_KEY>
MKYUCBXUUSZMQB-NMABCHCUSA-N

> <INCHI>
InChI=1S/C18H32O5/c1-2-3-7-11-16(20)17(21)14-13-15(19)10-8-5-4-6-9-12-18(22)23/h3,7,13-17,19-21H,2,4-6,8-12H2,1H3,(H,22,23)/b7-3+,14-13+

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
165803

> <ABBREVIATION>
FA 18:2;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5312876

> <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>
-

$$$$