Mrv0541 04131512572D          

 21 23  0  0  0  0            999 V2000
   11.8331  -22.9027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5495  -22.4894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5466  -21.6588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8313  -21.2497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1182  -22.4898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1195  -21.6609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3315  -21.4036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8432  -22.0735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3295  -22.7447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2596  -21.2436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9756  -21.6534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6885  -21.2383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0182  -22.0723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6107  -21.3554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7865  -21.3538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3721  -22.0682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7880  -22.7857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6109  -22.7837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5471  -22.0681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0263  -20.6427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1347  -21.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3 10  1  0  0  0  0
  5  6  2  0  0  0  0
 10 11  2  0  0  0  0
  1  2  2  0  0  0  0
 11 12  1  0  0  0  0
  5  1  1  0  0  0  0
  8 13  1  0  0  0  0
  2  3  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
  3  4  2  0  0  0  0
 15 16  2  0  0  0  0
  6  7  1  0  0  0  0
 16 17  1  0  0  0  0
  7  8  2  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
  8  9  1  0  0  0  0
 16 19  1  0  0  0  0
  9  5  1  0  0  0  0
 14 20  1  0  0  0  0
  4  6  1  0  0  0  0
 19 21  1  0  0  0  0
M  END
> <ID>
CHEBI:69254

> <NAME>
rataniaphenol I

> <DEFINITION>
A member of the class of benzofurans that is 1-benzofuran substituted by a 2-hydroxy-4-methoxyphenyl group at position 2 and a prop-1-en-1-yl group at position 5. It is a lignan derivative isolated from the roots of Krameria lappacea.

> <STAR>
3

> <SYNONYM>
2-(2-hydroxy-4-methoxyphenyl)-5-(E)-propenylbenzofuran

> <IUPAC_NAME>
5-methoxy-2-{5-[(1E)-prop-1-en-1-yl]-1-benzofuran-2-yl}phenol

> <FORMULA>
C18H16O3

> <MASS>
280.31780

> <MONOISOTOPIC_MASS>
280.10994

> <CHARGE>
0

> <SMILES>
COc1ccc(-c2cc3cc(\C=C\C)ccc3o2)c(O)c1

> <INCHI>
InChI=1S/C18H16O3/c1-3-4-12-5-8-17-13(9-12)10-18(21-17)15-7-6-14(20-2)11-16(15)19/h3-11,19H,1-2H3/b4-3+

> <INCHIKEY>
VSRAHYZSNLDBKG-ONEGZZNKSA-N

> <REAXYS_REGISTRY_NUMBER>
4196075

> <PUBMED_CITATION>
21800856

$$$$