LMFA07040110
  LIPID_MAPS_STRUCTURE_DATABASE

 15 15  0     0  0            999 V2000
   -3.9050   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7736   -0.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6422   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5109   -0.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3796   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2481   -0.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1120   -0.2437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9050    0.7506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5109   -1.7459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0394    1.2504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0394    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1738    0.7506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1738   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3081   -0.7486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0394   -0.7486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  6     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  2  0     0  0
  5  6  1  0     0  0
  6  7  2  0     0  0
  1  8  1  0     0  0
  4  9  1  0     0  0
  8 10  1  0     0  0
 10 11  1  6     0  0
 10 12  1  0     0  0
 12 13  1  0     0  0
 13 14  2  0     0  0
 13 15  1  0     0  0
  1 15  1  0     0  0
M  END
> <LM_ID>
LMFA07040110

> <COMMON_NAME>
Ieodomycin B

> <SYSTEMATIC_NAME>
3S,dihydroxy-8-methyl-8E,10-undecadien-5R-olide

> <FORMULA>
C12H18O3

> <MASS>
210.13

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Lactones [FA0704]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
UFMCBVUOEQAWAI-LTJOXERKSA-N

> <INCHI>
InChI=1S/C12H18O3/c1-3-4-9(2)5-6-11-7-10(13)8-12(14)15-11/h3-4,10-11,13H,1,5-8H2,2H3/b9-4+/t10-,11+/m0/s1

> <SMILES>
[C@@H]1(OC(=O)C[C@@H](O)C1)CC/C(/C)=C/C=C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
69906

> <ABBREVIATION>
FA 12:3;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
53387505

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1386

> <CITATION>
21699149

$$$$