LMFA07040147
  LIPID_MAPS_STRUCTURE_DATABASE

 13 13  0     0  0            999 V2000
    1.2990   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4330    0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4330   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.7501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1651   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0310    0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971    0.7501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7631    1.2501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1651    0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9082   -0.4194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5013   -1.3328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5067   -1.2281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0011   -2.1989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  2  0     0  0
  3  4  2  0     0  0
  4  5  1  0     0  0
  5  6  3  0     0  0
  6  7  1  0     0  0
  7  8  3  0     0  0
  9  1  1  0     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
 12  1  1  0     0  0
 11 13  2  0     0  0
M  END
> <LM_ID>
LMFA07040147

> <COMMON_NAME>
Nemotin

> <SYSTEMATIC_NAME>
Undeca-5,6-diene-8,10-diyn-4-olide

> <FORMULA>
C11H8O2

> <MASS>
172.05

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Lactones [FA0704]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FRTIRZDYHKNXHV-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C11H8O2/c1-2-3-4-5-6-7-10-8-9-11(12)13-10/h1,5,7,10H,8-9H2

> <SMILES>
C1(OC(=O)CC1)C=C=CC#CC#C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 11:7

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10395

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
38240

> <CITATION>
-

$$$$