Mrv0541 04131511382D          

 20 22  0  0  0  0            999 V2000
   12.7664  -12.1277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4828  -11.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4800  -10.8838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7646  -10.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0516  -11.7148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0528  -10.8859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2648  -10.6286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7766  -11.2985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2628  -11.9697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1929  -10.4686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9089  -10.8784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6218  -10.4633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9516  -11.2973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5440  -10.5804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7198  -10.5788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3054  -11.2932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7213  -12.0107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5442  -12.0087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4804  -11.2931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9596   -9.8677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  6  1  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
M  END
> <ID>
CHEBI:69250

> <NAME>
2-(2,4-dihydroxyphenyl)-5-(E)-propenylbenzofuran

> <DEFINITION>
A member of the class of benzofurans that is 1-benzofuran substituted by a 2,4-dihydroxyphenyl 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

> <IUPAC_NAME>
4-{5-[(1E)-prop-1-en-1-yl]-1-benzofuran-2-yl}benzene-1,3-diol

> <FORMULA>
C17H14O3

> <MASS>
266.29130

> <MONOISOTOPIC_MASS>
266.09429

> <CHARGE>
0

> <SMILES>
C\C=C\c1ccc2oc(cc2c1)-c1ccc(O)cc1O

> <INCHI>
InChI=1S/C17H14O3/c1-2-3-11-4-7-16-12(8-11)9-17(20-16)14-6-5-13(18)10-15(14)19/h2-10,18-19H,1H3/b3-2+

> <INCHIKEY>
SDWZWUUOXFFJSA-NSCUHMNNSA-N

> <REAXYS_REGISTRY_NUMBER>
4192454

> <PUBMED_CITATION>
21800856

$$$$