cyclofenil
  CDK     0222172001

 27 29  0  0  0  0  0  0  0  0999 V2000
    0.0000   -3.2120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.6234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.6234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -4.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4309   -3.2120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -4.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4309   -3.2120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7165   -1.9734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.9734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4309   -4.8619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.6234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4309   -4.8619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -3.6234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7165   -1.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -4.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -4.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.7370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8578   -4.8619    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8578   -4.8619    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5722   -4.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5722   -4.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2867   -4.8619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5722   -3.6234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2867   -4.8619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5722   -3.6234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  1  3  1  0  0  0  0 
  1  4  2  0  0  0  0 
  2  5  2  0  0  0  0 
  2  6  1  0  0  0  0 
  3  7  2  0  0  0  0 
  3  8  1  0  0  0  0 
  4  9  1  0  0  0  0 
  4 10  1  0  0  0  0 
  5 11  1  0  0  0  0 
  6 12  2  0  0  0  0 
  7 13  1  0  0  0  0 
  8 14  2  0  0  0  0 
  9 15  1  0  0  0  0 
 10 16  1  0  0  0  0 
 11 17  2  0  0  0  0 
 12 17  1  0  0  0  0 
 13 18  2  0  0  0  0 
 14 18  1  0  0  0  0 
 15 19  1  0  0  0  0 
 16 19  1  0  0  0  0 
 17 20  1  0  0  0  0 
 18 21  1  0  0  0  0 
 20 22  1  0  0  0  0 
 21 23  1  0  0  0  0 
 22 24  1  0  0  0  0 
 22 25  2  0  0  0  0 
 23 26  1  0  0  0  0 
 23 27  2  0  0  0  0 
M  END
> <ID>
CHEBI:31446

> <NAME>
Cyclofenil

> <STAR>
2

> <SYNONYM>
ondogyne; fertodur; cyclophenyl; cyclophenil; cyclopenil; cyclofenyl; Cyclofenil

> <FORMULA>
C23H24O4; C23H24O4

> <MASS>
364.435

> <MONOISOTOPIC_MASS>
364.16746

> <CHARGE>
0

> <SMILES>
C(C1=CC=C(C=C1)OC(C)=O)(C2=CC=C(C=C2)OC(C)=O)=C3CCCCC3

> <INCHI>
InChI=1S/C23H24O4/c1-16(24)26-21-12-8-19(9-13-21)23(18-6-4-3-5-7-18)20-10-14-22(15-11-20)27-17(2)25/h8-15H,3-7H2,1-2H3

> <INCHIKEY>
GVOUFPWUYJWQSK-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
2624-43-3

> <KEGG_DRUG_ACCESSION>
D01281

$$$$