LMFA01050531
  LIPID_MAPS_STRUCTURE_DATABASE

 23 22  0     0  0            999 V2000
   -0.4337   -0.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4337   -0.7512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4337    0.7512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3075   -0.7512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1816   -0.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0558   -0.7512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9299   -0.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8039   -0.7512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6781   -0.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5522   -0.7512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4264   -0.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3005   -0.7512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1747   -0.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0488   -0.7512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9230   -0.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7971   -0.7512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6712   -0.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5453   -0.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4195   -0.7512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.2936   -0.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4264    0.7512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0488   -1.7528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9230    0.7512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0     0  0
  1  3  2  0     0  0
  1  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
 12 13  2  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 17 18  2  0     0  0
 18 19  1  0     0  0
 19 20  1  0     0  0
 11 21  1  1     0  0
 14 22  1  1     0  0
 15 23  1  6     0  0
M  END
> <LM_ID>
LMFA01050531

> <COMMON_NAME>
Malyngic acid

> <SYSTEMATIC_NAME>
9S,12R,13S-trihydroxy-10E,15Z-Octadecadienoic acid

> <FORMULA>
C18H32O5

> <MASS>
328.22

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Hydroxy fatty acids [FA0105]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
10,15-Octadecadienoic acid, 9,12,13-trihydroxy-, (9S,10E,12R,13S,15Z)-

> <INCHI_KEY>
MKYUCBXUUSZMQB-OADLNGDBSA-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+/t15-,16-,17+/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
186209

> <ABBREVIATION>
FA 18:2;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9949348

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]; Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]; Octadecanoids [FA02]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]; 

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
158786

> <CITATION>
-

$$$$