LMFA01050565
  LIPID_MAPS_STRUCTURE_DATABASE

 17 16  0     0  0            999 V2000
   -0.4310   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4310   -0.7465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4310    0.7465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2995   -0.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1683   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0371   -0.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9058   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7746   -0.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6434   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5123   -0.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3811   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2499   -0.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1140   -0.2437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1683    0.7508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2968   -0.2466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9058    0.7508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5123   -1.7463    0.0000 C   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  2  0     0  0
 11 12  1  0     0  0
 12 13  2  0     0  0
  5 14  1  6     0  0
  2 15  1  0     0  0
  7 16  1  1     0  0
 10 17  1  0     0  0
M  END
> <LM_ID>
LMFA01050565

> <COMMON_NAME>
Ieodomycin A

> <SYSTEMATIC_NAME>
Methyl 3S,5R-dihydroxy-8-methyl-8E,10-undecadienoate

> <FORMULA>
C13H22O4

> <MASS>
242.15

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Hydroxy fatty acids [FA0105]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
LMFWMDRALYGQES-SRXIBPRUSA-N

> <INCHI>
InChI=1S/C13H22O4/c1-4-5-10(2)6-7-11(14)8-12(15)9-13(16)17-3/h4-5,11-12,14-15H,1,6-9H2,2-3H3/b10-5+/t11-,12+/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
69905

> <ABBREVIATION>
FA 13:2;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
53387504

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1386

> <CITATION>
21699149

$$$$