11008321
  CDK     0829231231

 12 12  0  0  0  0  0  0  0  0999 V2000
    3.1020   -0.1491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.0809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5145    1.1205    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7694    0.3359    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6895    1.1205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5541    0.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9994    1.7879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4346    0.3359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7256   -0.7260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5101   -0.9809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6817   -1.7879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1233   -0.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0 
  1  8  1  0  0  0  0 
  2  8  2  0  0  0  0 
  3  4  1  0  0  0  0 
  3  5  1  0  0  0  0 
  3  7  1  6  0  0  0 
  4  6  1  1  0  0  0 
  5  8  1  0  0  0  0 
  6  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
 10 11  1  0  0  0  0 
 10 12  1  0  0  0  0 
M  END
> <ID>
CHEBI:195800

> <NAME>
Trans-eldanolide

> <STAR>
2

> <IUPAC_NAME>
(4S,5R)-4-methyl-5-(3-methylbut-2-enyl)oxolan-2-one

> <FORMULA>
C10H16O2

> <MASS>
168.236

> <MONOISOTOPIC_MASS>
168.11503

> <CHARGE>
0

> <SMILES>
O1[C@@H]([C@H](CC1=O)C)CC=C(C)C

> <INCHI>
InChI=1S/C10H16O2/c1-7(2)4-5-9-8(3)6-10(11)12-9/h4,8-9H,5-6H2,1-3H3/t8-,9+/m0/s1

> <INCHIKEY>
ARNPQYFYGKMXGD-DTWKUNHWSA-N

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA07040013

$$$$