CDK     1023151746

 14 15  0  0  0  0  0  0  0  0999 V2000
    6.4232    3.1822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7087    2.7697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7087    1.9446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4232    1.5321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1377    1.9446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1377    2.7697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9242    1.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4392    2.3571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9241    3.0246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6692    3.8092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2097    1.2772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3367    0.9752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8522    3.1821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8522    1.5321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  2  0  0  0  0 
  5  6  1  0  0  0  0 
  1  6  2  0  0  0  0 
  2  9  1  0  0  0  0 
  2  3  2  0  0  0  0 
  3  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
  7 11  1  0  0  0  0 
  7 12  1  0  0  0  0 
  6 13  1  0  0  0  0 
  5 14  1  0  0  0  0 
M  END
> <ID>
CHEBI:89467

> <NAME>
1-H-Inden-1-one,2,3-dihydro-3,3,5,6-tetramethyl

> <STAR>
2

> <SYNONYM>
3,3,5,6-tetramethyl-2,3-dihydro-1H-inden-1-one

> <FORMULA>
C13H16O

> <MASS>
188.266

> <MONOISOTOPIC_MASS>
188.12012

> <CHARGE>
0

> <SMILES>
C=1C=2C(CC(C2C=C(C1C)C)(C)C)=O

> <INCHI>
InChI=1S/C13H16O/c1-8-5-10-11(6-9(8)2)13(3,4)7-12(10)14/h5-6H,7H2,1-4H3

> <INCHIKEY>
BXABKFVJTUQBMS-UHFFFAOYSA-N

> <PUBMED_CITATION>
24023812

$$$$