LMFA08010027
  LIPID_MAPS_STRUCTURE_DATABASE

 11 10  0     0  0            999 V2000
    0.7865   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6526   -0.7501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5186   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3846   -0.7501    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5186    0.7501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0795    0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9454    0.7501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8115    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6775    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6775    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3845    1.0429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  3  5  2  0     0  0
  1  6  1  0     0  0
  6  7  3  0     0  0
  7  8  1  0     0  0
  8  9  3  0     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
M  END
> <LM_ID>
LMFA08010027

> <COMMON_NAME>
Agrocybin

> <SYSTEMATIC_NAME>
8-hydroxyocta-2,4,6-triynamide

> <FORMULA>
C8H5NO2

> <MASS>
147.03

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty amides [FA08]

> <SUB_CLASS>
Primary amides [FA0801]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
OXONWCQUZYDTNF-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C8H5NO2/c9-8(11)6-4-2-1-3-5-7-10/h10H,7H2,(H2,9,11)

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0030481

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11004

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]; Fatty Acyls [FA]; Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]; Hydroxy fatty acids [FA0105]; Amino fatty acids [FA0110]

> <ALT_CLASS_LEVEL4S>
-; -; -

> <TAXONOMY>
1967158

> <CITATION>
-

$$$$