TEMP_89
  CDK     0715202300

 16 18  0  0  0  0  0  0  0  0999 V2000
    2.2056   -1.8227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8822    0.5171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4195    1.1521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2503    1.0474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7823    1.6869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8378   -1.2920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0255   -0.2954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -1.0098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6130   -1.0098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4253    1.0474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.2954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9512    1.7831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0504    0.6206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7932    0.5171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6130   -1.5741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1431    1.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0 
  1  8  1  0  0  0  0 
  2  3  1  0  0  0  0 
  2  4  1  0  0  0  0 
  2  7  1  0  0  0  0 
  3  5  1  0  0  0  0 
  3 12  1  0  0  0  0 
  3 13  1  0  0  0  0 
  4  5  1  0  0  0  0 
  4 10  1  0  0  0  0 
  6  8  1  0  0  0  0 
  6  9  1  0  0  0  0 
  6 15  1  0  0  0  0 
  7  9  1  0  0  0  0 
  8 11  1  0  0  0  0 
 10 14  1  0  0  0  0 
 10 16  2  0  0  0  0 
 11 14  1  0  0  0  0 
M  END
> <ID>
CHEBI:156179

> <NAME>
Caryophyllene epoxide

> <STAR>
2

> <IUPAC_NAME>
4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecane

> <FORMULA>
C15H24O

> <MASS>
220.356

> <MONOISOTOPIC_MASS>
220.18272

> <CHARGE>
0

> <SMILES>
O1C2(C1CCC(C3C(C(C3)(C)C)CC2)=C)C

> <INCHI>
InChI=1S/C15H24O/c1-10-5-6-13-15(4,16-13)8-7-12-11(10)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3

> <INCHIKEY>
NVEQFIOZRFFVFW-UHFFFAOYSA-N

$$$$