LMFA07010946
  LIPID_MAPS_STRUCTURE_DATABASE

 14 13  0  0  0  0            999 V2000
    2.1448   -1.1955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4017   -1.5261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7420   -0.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0003   -1.2781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6601   -0.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4025   -1.3608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1448   -0.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1448   -0.1240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4025    0.2886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4025    1.1136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7428    1.5261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0003    1.1136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0003    0.2886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0719   -0.2066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 14  2  0  0  0  0
  4  5  3  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
> <LM_ID>
LMFA07010946

> <COMMON_NAME>
Methyl 2-undecynoate

> <SYSTEMATIC_NAME>
methyl undec-2-ynoate

> <FORMULA>
C12H20O2

> <MASS>
196.15

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Short fatty esters [FA0710]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YPUZOJRRZPRXNV-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C12H20O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h3-9H2,1-2H3

> <SMILES>
COC(=O)C#CCCCCCCCC

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0030945

> <CHEBI_ID>
172041

> <ABBREVIATION>
SFE 12:2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
61524

> <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>
-

> <CITATION>
-

$$$$