Marvin  02101116402D          

 16 17  0  0  1  0            999 V2000
    6.6087   -5.0842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6087   -5.9092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8942   -4.6717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8942   -6.3217    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1798   -5.0842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1798   -5.9092    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2263   -6.8060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4806   -7.5909    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5612   -6.8072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3057   -7.5916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9952   -8.2579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1747   -8.1710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3301   -9.0119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3232   -6.3217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4653   -6.3217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8942   -3.8467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  6  5  1  0  0  0  0
  4  7  1  1  0  0  0
  8  7  1  0  0  0  0
  4  9  1  6  0  0  0
 10  8  1  0  0  0  0
 10  9  1  0  0  0  0
  8 11  1  1  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
  2 14  1  0  0  0  0
  6 15  1  6  0  0  0
  3 16  2  0  0  0  0
M  END
> <ID>
CHEBI:9192

> <NAME>
solavetivone

> <DEFINITION>
A cyclic ketone derived from spiro[4.5]dec-6-en-8-one by substitution of hydrogens by methyl groups at positions 6 and 10, and by an isopropenyl group at position 2 (the (2R,5S,10R)-diastereoisomer).

> <STAR>
3

> <SYNONYM>
solavetivone; Solavetivone; katahdinone; (-)-solavetivone; (-)-(2R,5S,10R)-2-isopropenyl-6,10-dimethylspiro[4.5]dec-6-en-8-one

> <IUPAC_NAME>
(2R,5S,10R)-6,10-dimethyl-2-(prop-1-en-2-yl)spiro[4.5]dec-6-en-8-one

> <FORMULA>
C15H22O

> <MASS>
218.33460

> <MONOISOTOPIC_MASS>
218.16707

> <CHARGE>
0

> <SMILES>
C[C@@H]1CC(=O)C=C(C)[C@]11CC[C@H](C1)C(C)=C

> <INCHI>
InChI=1S/C15H22O/c1-10(2)13-5-6-15(9-13)11(3)7-14(16)8-12(15)4/h7,12-13H,1,5-6,8-9H2,2-4H3/t12-,13-,15-/m1/s1

> <INCHIKEY>
FGCUSSRGQNHZRW-UMVBOHGHSA-N

> <CAS_REGISTRY_NUMBER>
54878-25-0

> <REAXYS_REGISTRY_NUMBER>
1911510

> <CHEMIDPLUS>
54878-25-0

> <KEGG_COMPOUND_ACCESSION>
C09737

> <KNAPSACK_ACCESSION>
C00003191

> <PUBMED_CITATION>
17715131

$$$$