LMFA01090139
  LIPID_MAPS_STRUCTURE_DATABASE

  9  8  0  0  0  0  0  0  0  0999 V2000
    7.2332    6.1755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2332    7.0034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5109    5.7617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0825    5.2475    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    7.9500    5.7617    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6669    6.1756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3837    5.7617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7886    5.7617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0718    6.2383    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  3  8  2  0  0  0  0
  8  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
> <LM_ID>
LMFA01090139

> <COMMON_NAME>
Ethyl 3,3-diiodoacrylate

> <SYSTEMATIC_NAME>
Ethyl 3,3-diiodo-2-propenoate

> <FORMULA>
C5H6I2O2

> <MASS>
351.85

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Halogenated fatty acids [FA0109]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ULBLUKDUPXNGMA-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C5H6I2O2/c1-2-9-5(8)3-4(6)7/h3H,2H2,1H3

> <SMILES>
C(/C=C(\I)/I)(=O)OCC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
187247

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
56935837

> <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>
260499

> <CITATION>
11958814

$$$$