CDK     1023151742

 15 16  0  0  0  0  0  0  0  0999 V2000
    3.5724    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  7  5  2  0  0  0  0 
  8  6  1  0  0  0  0 
 10  1  1  0  0  0  0 
 10  2  1  0  0  0  0 
 11  3  1  0  0  0  0 
 11  5  1  0  0  0  0 
 11  9  2  0  0  0  0 
 12  4  1  0  0  0  0 
 12  6  2  0  0  0  0 
 13  8  1  0  0  0  0 
 13 10  1  0  0  0  0 
 14  7  1  0  0  0  0 
 14 12  1  0  0  0  0 
 15  9  1  0  0  0  0 
 15 13  1  0  0  0  0 
 15 14  2  0  0  0  0 
M  END
> <ID>
CHEBI:88732

> <NAME>
3,4-Dihydrocadalene

> <STAR>
2

> <SYNONYM>
Calacorene; alpha-corocalene; alpha-corocalen; alpha-colocarene; alpha-Calacorene; 7,8-Dihydrocadalene; 4,7-dimethyl-1-(propan-2-yl)-1,2-dihydronaphthalene; 1,2-Dihydro-4,7-dimethyl-1-(1-methylethyl)naphthalene, 9CI; 1,2-Dihydro-1-isopropyl-4,7-dimethylnaphthalene; (e)-calacorene

> <FORMULA>
C15H20

> <MASS>
200.320

> <MONOISOTOPIC_MASS>
200.15650

> <CHARGE>
0

> <SMILES>
CC(C)C1CC=C(C)C=2C=CC(C)=CC12

> <INCHI>
InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-7,9-10,13H,8H2,1-4H3

> <INCHIKEY>
CUUMXRBKJIDIAY-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
21391-99-1

> <KNAPSACK_ACCESSION>
C00020067

> <PUBMED_CITATION>
23454028; 24421258

$$$$