Marvin  04011110572D          

 15 16  0  0  1  0            999 V2000
    5.6281   -5.4636    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9209   -5.8722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6315   -4.6363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3455   -5.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6246   -6.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2034   -5.4636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9209   -4.2244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3455   -4.2244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0596   -5.4705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3352   -6.7030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2034   -4.6363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0527   -6.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7667   -6.7098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2439   -6.6192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5055   -6.5777    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  1  0  0  0
  1  5  1  6  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
  7 11  1  0  0  0  0
 10 12  2  0  0  0  0
  2 14  1  0  0  0  0
  1  2  1  0  0  0  0
  2 15  1  0  0  0  0
M  END
> <ID>
CHEBI:10359

> <NAME>
(-)-beta-chamigrene

> <DEFINITION>
The (6R)-enantiomer of β-chamigrene.

> <STAR>
3

> <SYNONYM>
beta-Chamigrene; (R)-beta-chamigrene; (-)-chamigrene

> <IUPAC_NAME>
(6R)-3,7,7-trimethyl-11-methylidenespiro[5.5]undec-2-ene

> <FORMULA>
C15H24

> <MASS>
204.35110

> <MONOISOTOPIC_MASS>
204.18780

> <CHARGE>
0

> <SMILES>
CC1=CC[C@@]2(CC1)C(=C)CCCC2(C)C

> <INCHI>
InChI=1S/C15H24/c1-12-7-10-15(11-8-12)13(2)6-5-9-14(15,3)4/h7H,2,5-6,8-11H2,1,3-4H3/t15-/m1/s1

> <INCHIKEY>
WLNGPDPILFYWKF-OAHLLOKOSA-N

> <CAS_REGISTRY_NUMBER>
18431-82-8

> <REAXYS_REGISTRY_NUMBER>
2326950

> <CHEMIDPLUS>
18431-82-8

> <KEGG_COMPOUND_ACCESSION>
C09637

> <KNAPSACK_ACCESSION>
C00003116

$$$$