137323805
  CDK     0823212310

 14 14  0  0  0  0  0  0  0  0999 V2000
    6.0780   -0.9207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0930    0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6655   -0.2063    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4905   -0.2063    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9509    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2050    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9194    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6339    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3484    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0629    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0 
  1  5  1  0  0  0  0 
  2 11  1  0  0  0  0 
  3 11  2  0  0  0  0 
  4  5  1  0  0  0  0 
  4  6  1  1  0  0  0 
  5  9  1  6  0  0  0 
  6  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8 11  1  0  0  0  0 
  9 10  3  0  0  0  0 
 10 12  1  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  1  0  0  0  0 
M  END
> <ID>
CHEBI:177987

> <NAME>
5S,6S-epoxy-7-undecynoic acid

> <STAR>
2

> <IUPAC_NAME>
4-[(2S,3S)-3-pent-1-ynyloxiran-2-yl]butanoic acid

> <FORMULA>
C11H16O3

> <MASS>
196.246

> <MONOISOTOPIC_MASS>
196.10994

> <CHARGE>
0

> <SMILES>
O1[C@H]([C@@H]1C#CCCC)CCCC(O)=O

> <INCHI>
InChI=1S/C11H16O3/c1-2-3-4-6-9-10(14-9)7-5-8-11(12)13/h9-10H,2-3,5,7-8H2,1H3,(H,12,13)/t9-,10-/m0/s1

> <INCHIKEY>
QHOHOFWVHHZVOP-UWVGGRQHSA-N

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA01070039

$$$$