10931830
  CDK     0829231231

 12 12  0  0  0  0  0  0  0  0999 V2000
    2.8876   -1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6020   -0.7145    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8876   -0.3020    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0145    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0145   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8396    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4751    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2521    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0771    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4896    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4896    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0 
  1  4  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  6  1  6  0  0  0 
  4  8  1  1  0  0  0 
  5  7  1  0  0  0  0 
  7  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:195829

> <NAME>
2R3R-epoxyneral

> <STAR>
2

> <IUPAC_NAME>
(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxirane-2-carbaldehyde

> <FORMULA>
C10H16O2

> <MASS>
168.236

> <MONOISOTOPIC_MASS>
168.11503

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C10H16O2/c1-8(2)5-4-6-10(3)9(7-11)12-10/h5,7,9H,4,6H2,1-3H3/t9-,10+/m0/s1

> <INCHIKEY>
KXDDDNKGVUBFQS-VHSXEESVSA-N

$$$$