Marvin  05220810542D          

 10 11  0  0  0  0            999 V2000
    0.7145   -0.4125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  1  2  1  0  0  0  0
  3  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  2  0  0  0  0
  2  5  1  0  0  0  0
  6  5  1  0  0  0  0
  4  6  1  0  0  0  0
  3 10  1  1  0  0  0
  2 10  1  1  0  0  0
M  END
> <ID>
CHEBI:50026

> <NAME>
(+)-beta-pinene

> <STAR>
3

> <SYNONYM>
(1R,5R)-beta-pinene

> <IUPAC_NAME>
(1R,5R)-pin-2(10)-ene; (1R,5R)-6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane

> <FORMULA>
C10H16

> <MASS>
136.23404

> <MONOISOTOPIC_MASS>
136.12520

> <CHARGE>
0

> <SMILES>
CC1(C)[C@@H]2CCC(=C)[C@H]1C2

> <INCHI>
InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9-/m1/s1

> <INCHIKEY>
WTARULDDTDQWMU-RKDXNWHRSA-N

$$$$