1550886
  CDK     1203211124

 19 20  0  0  0  0  0  0  0  0999 V2000
    3.7935   -0.6683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.1568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.1568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080   -1.0808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080   -1.9058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    1.8068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    1.3943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    0.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    1.3943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -2.3183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -2.3183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    2.6318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -3.1433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -3.1433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080   -3.5558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    3.0443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    2.6318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0 
  1  4  1  0  0  0  0 
  2  5  1  0  0  0  0 
  2 18  1  0  0  0  0 
  3  5  2  0  0  0  0 
  3  9  1  0  0  0  0 
  4  6  1  0  0  0  0 
  5  8  1  0  0  0  0 
  6 11  2  0  0  0  0 
  6 12  1  0  0  0  0 
  7  8  2  0  0  0  0 
  7 10  1  0  0  0  0 
  7 13  1  0  0  0  0 
  9 10  2  0  0  0  0 
 11 14  1  0  0  0  0 
 12 15  2  0  0  0  0 
 13 17  2  0  0  0  0 
 14 16  2  0  0  0  0 
 15 16  1  0  0  0  0 
 17 19  1  0  0  0  0 
M  END
> <ID>
CHEBI:186980

> <NAME>
Isoeugenol benzyl ether

> <STAR>
2

> <IUPAC_NAME>
2-methoxy-1-phenylmethoxy-4-[(Z)-prop-1-enyl]benzene

> <FORMULA>
C17H18O2

> <MASS>
254.329

> <MONOISOTOPIC_MASS>
254.13068

> <CHARGE>
0

> <SMILES>
O(C1=C(OC)C=C(C=C1)/C=C\C)CC2=CC=CC=C2

> <INCHI>
InChI=1S/C17H18O2/c1-3-7-14-10-11-16(17(12-14)18-2)19-13-15-8-5-4-6-9-15/h3-12H,13H2,1-2H3/b7-3-

> <INCHIKEY>
YKSSSKBJDZDZTD-CLTKARDFSA-N

> <CAS_REGISTRY_NUMBER>
128839-47-4

> <CHEMIDPLUS>
128839-47-4

$$$$