LMFA01050614
  LIPID_MAPS_STRUCTURE_DATABASE

 22 21  0     0  0            999 V2000
   -0.4311   -0.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4311   -0.7467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4311    0.7467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2997   -0.7467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1686   -0.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0375   -0.7467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9065   -0.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7754   -0.7467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6444   -0.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5133   -0.7467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3822   -0.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2512   -0.7467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1201   -0.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9891   -0.7467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8580   -0.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7269   -0.7467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5959   -0.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4648   -0.7467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3338   -0.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5133   -1.7423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1201    0.7467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9891   -1.7423    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  1  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
 10 20  1  0  0  0  0
 13 21  1  0  0  0  0
 14 22  1  0  0  0  0
M  END
> <LM_ID>
LMFA01050614

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
8,11,12-trihydroxy-9-heptadecenoic acid

> <FORMULA>
C17H32O5

> <MASS>
316.22

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Hydroxy fatty acids [FA0105]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YSAMHTVEOVVXOT-OUKQBFOZSA-N

> <INCHI>
InChI=1S/C17H32O5/c1-2-3-6-10-15(19)16(20)13-12-14(18)9-7-4-5-8-11-17(21)22/h12-16,18-20H,2-11H2,1H3,(H,21,22)/b13-12+

> <SMILES>
C(CCCCCCC(O)/C=C/C(O)C(O)CCCCC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 17:1;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
-

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9913

> <CITATION>
7202002

$$$$