LMFA01110002
  LIPID_MAPS_STRUCTURE_DATABASE

 11 10  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
   -1.2994   -0.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1681   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0369   -0.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9056   -1.2442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7744   -1.7420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6431   -2.2397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5118   -2.7374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3806   -3.2351    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  3  0  0  0  0
  7  8  1  0  0  0  0
  8  9  3  0  0  0  0
  9 10  1  0  0  0  0
 10 11  3  0  0  0  0
M  END
> <LM_ID>
LMFA01110002

> <COMMON_NAME>
Nudic Acid B

> <SYSTEMATIC_NAME>
7-Cyano-2E-heptene-4,6-diynoic acid

> <FORMULA>
C8H3NO2

> <MASS>
145.02

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Cyano fatty acids [FA0111]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Diatretyne 2, Diatretyne II

> <INCHI_KEY>
DMGKNZBGIHCAMP-GQCTYLIASA-N

> <INCHI>
InChI=1S/C8H3NO2/c9-7-5-3-1-2-4-6-8(10)11/h4,6H,(H,10,11)/b6-4+

> <SMILES>
C(/C=C/C#CC#CC#N)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
185077

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
6433188

> <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>
40144; 2644745

> <CITATION>
13430793; 14372966

$$$$