Mrv0541 03251513592D          

 16 16  0  0  0  0            999 V2000
    8.4125   -6.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9833   -6.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4125   -6.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6958   -5.6208    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.1292   -7.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2667   -5.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9833   -6.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000   -7.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5542   -6.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2667   -7.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5542   -6.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7042   -8.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6917   -4.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8375   -7.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9917   -8.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4208   -8.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  2  0  0  0  0
  6  2  2  0  0  0  0
  7  2  1  0  0  0  0
  8  1  1  0  0  0  0
  9  6  1  0  0  0  0
 10  7  2  0  0  0  0
 11  9  2  0  0  0  0
 12  8  1  0  0  0  0
  4 13  1  1  0  0  0
 14 11  1  0  0  0  0
 15 12  1  0  0  0  0
 16 12  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <ID>
CHEBI:70160

> <NAME>
(+)-(S)-dihydro-ar-turmerone

> <DEFINITION>
A  sesquiterpenoid that is 2-methylheptan-4-one substituted by a 4-methylphenyl group at position 6. It has been isolated from  Peltophorum dasyrachis.

> <STAR>
3

> <IUPAC_NAME>
(6S)-2-methyl-6-(4-methylphenyl)heptan-4-one

> <FORMULA>
C15H22O

> <MASS>
218.33460

> <MONOISOTOPIC_MASS>
218.16707

> <CHARGE>
0

> <SMILES>
CC(C)CC(=O)C[C@H](C)c1ccc(C)cc1

> <INCHI>
InChI=1S/C15H22O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5-8,11,13H,9-10H2,1-4H3/t13-/m0/s1

> <INCHIKEY>
FWSUEHMNQCROMJ-ZDUSSCGKSA-N

> <REAXYS_REGISTRY_NUMBER>
2615578

> <PUBMED_CITATION>
21189039

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