Marvin  05230817292D          

 11 11  0  0  0  0            999 V2000
    0.7145    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.2375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7145   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  0  0  0  0
  5  4  1  0  0  0  0
  1  2  2  0  0  0  0
  2 10  1  0  0  0  0
 10  3  1  0  0  0  0
  3  4  1  0  0  0  0
  6  5  2  0  0  0  0
 10  8  1  0  0  0  0
  8  7  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  6  0  0  0
M  END
> <ID>
CHEBI:129

> <NAME>
(-)-beta-phellandrene

> <DEFINITION>
A β-phellandrene in which the chiral centre has R configuration.

> <STAR>
3

> <SYNONYM>
beta-phellandrene l-form; (R)-3-isopropyl-6-methylenecyclohexene; (3R)-3-isopropyl-6-methylenecyclohexene; (-)-beta-Phellandrene; (-)-p-mentha-1(7),2-diene; (-)-beta-phellandrene; (-)-3-methylene-6-(1-methylethyl)cyclohexene

> <IUPAC_NAME>
(6R)-3-methylidene-6-(propan-2-yl)cyclohex-1-ene; (4R)-p-mentha-1(7),2-diene

> <FORMULA>
C10H16

> <MASS>
136.23404

> <MONOISOTOPIC_MASS>
136.12520

> <CHARGE>
0

> <SMILES>
[H][C@@]1(CCC(=C)C=C1)C(C)C

> <INCHI>
InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8,10H,3,5,7H2,1-2H3/t10-/m1/s1

> <INCHIKEY>
LFJQCDVYDGGFCH-SNVBAGLBSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
3194594

> <CAS_REGISTRY_NUMBER>
6153-17-9

> <CHEMIDPLUS>
6153-17-9

> <KEGG_COMPOUND_ACCESSION>
C11392

> <KNAPSACK_ACCESSION>
C00010873

> <METACYC_ACCESSION>
CPD-8768

$$$$