LMFA01090144
  LIPID_MAPS_STRUCTURE_DATABASE

  8  7  0  0  0  0  0  0  0  0999 V2000
    6.4352    6.2335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4352    7.0560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7177    5.8224    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0000    6.2335    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.7177    5.0000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    7.1473    5.8224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8634    6.2358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5796    5.8224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  6  1  1  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
> <LM_ID>
LMFA01090144

> <COMMON_NAME>
Ethyl 2-Bromo-2-iodoacetate

> <SYSTEMATIC_NAME>
Ethyl 2-Bromo-2-iodoethanoate

> <FORMULA>
C4H6BrIO2

> <MASS>
291.86

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Halogenated fatty acids [FA0109]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CVMRTPHUCUFKLQ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C4H6BrIO2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3

> <SMILES>
C(C(I)Br)(=O)OCC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
191922

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
56935839

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
260499

> <CITATION>
11958814

$$$$