Ketcher 08102208522D 1   1.00000     0.00000     0

 15 18  0     0  0            999 V2000
   -0.4375    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4285   -0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4285   -1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4375   -1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3035   -1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3035   -0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8965   -2.3636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4215   -1.9386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3305   -1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7909   -1.7330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2659   -2.2983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5233   -3.2914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4375    1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4285    1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3035    1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  1  1  0     0  0
  4  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9  5  1  0     0  0
  8 10  1  0     0  0
  7 10  1  0     0  0
 10  6  1  0     0  0
  4 11  1  0     0  0
  7 12  1  0     0  0
  1 13  1  1     0  0
 13 14  1  0     0  0
 13 15  1  0     0  0
M  END
> <ID>
CHEBI:192810

> <NAME>
cyclosativene

> <DEFINITION>
A sesquiterpene.

> <STAR>
2

> <FORMULA>
C15H24

> <MASS>
204.357

> <MONOISOTOPIC_MASS>
204.18780

> <CHARGE>
0

> <SMILES>
[C@@H]1(CCC2(C3C1C4C(C24C)C3)C)C(C)C

> <INCHI>
InChI=1S/C15H24/c1-8(2)9-5-6-14(3)10-7-11-13(12(9)10)15(11,14)4/h8-13H,5-7H2,1-4H3/t9-,10?,11?,12?,13?,14?,15?/m1/s1

> <INCHIKEY>
XBWACJDEQIZTPR-FCKCIMNISA-N

> <METACYC_ACCESSION>
CPD-8763

> <PUBMED_CITATION>
18681400; 24493068; 30105900; 30428230; 34207862

$$$$