LMFA02000435
  LIPID_MAPS_STRUCTURE_DATABASE

 22 21  0     0  0            999 V2000
   -0.4393   -0.2537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4393   -0.7609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4393    0.7609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3244   -0.7609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2098   -0.2537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0953   -0.7609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9806   -0.2537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8661   -0.7609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7515   -0.2537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6370   -0.7609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5224   -0.2537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4079   -0.2537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2933   -0.7609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1787   -0.2537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0641   -0.2537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9496   -0.7609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8350   -0.2537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7205   -0.2537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6059   -0.7609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.4914   -0.2537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8661   -1.7755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7515    0.7609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  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  2  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  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 22  1  0  0  0  0
M  END
> <LM_ID>
LMFA02000435

> <COMMON_NAME>
9(Z),12(Z),15(Z)-6,7-DiHOTrE

> <SYSTEMATIC_NAME>
6,7-dihydroxy-octadeca-9Z,12,15Z-trienoic acid

> <FORMULA>
C18H30O4

> <MASS>
310.21

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Octadecanoids [FA02]

> <SUB_CLASS>
Other Octadecanoids [FA0200]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FVBBPIUJGMJWMX-PDBXOOCHSA-N

> <INCHI>
InChI=1S/C18H30O4/c1-2-3-4-5-6-7-8-9-10-13-16(19)17(20)14-11-12-15-18(21)22/h3-4,6-7,9-10,16-17,19-20H,2,5,8,11-15H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 18:3;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
-

> <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>
Hydroxy fatty acids [FA0105]; Unsaturated fatty acids [FA0103]

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
32630

> <CITATION>
-

$$$$