Marvin  04171311052D          

 19 21  0  0  0  0            999 V2000
   10.5478   -9.0493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5466   -9.8766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2614  -10.2894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2596   -8.6366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9749   -9.0456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9797   -9.8721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7671  -10.1228    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.2491   -9.4514    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.7593   -8.7857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0739   -9.4465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4880  -10.1596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3123  -10.1551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7213   -9.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3002   -8.7234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4774   -8.7314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0266  -10.9059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8319  -10.2885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8333   -8.6370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1189   -9.0496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  9  5  1  0  0  0  0
  4  1  1  0  0  0  0
  8 10  1  1  0  0  0
  5  6  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
  2  3  1  0  0  0  0
 12 13  2  0  0  0  0
  3  6  2  0  0  0  0
 13 14  1  0  0  0  0
  1  2  2  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
  5  4  2  0  0  0  0
  7 16  1  6  0  0  0
  6  7  1  0  0  0  0
  2 17  1  0  0  0  0
  7  8  1  0  0  0  0
  1 18  1  0  0  0  0
  8  9  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
> <ID>
CHEBI:66804

> <NAME>
obtusafuran

> <DEFINITION>
A member of the class of 1-benzofurans that is 2,3-dihydro-1-benzofuran substituted by a hydroxy group at position 5, a methoxy group at position 6, a methyl group at position 3 and a phenyl group at position 2. Isolated from  Dalbergia louveli, it exhibits antiplasmodial activity.

> <STAR>
3

> <SYNONYM>
(2R,3R)-5-hydroxy-6-methoxy-3-methyl-2-phenyl-2,3-dihydrobenzofuran

> <IUPAC_NAME>
(2R,3R)-6-methoxy-3-methyl-2-phenyl-2,3-dihydro-1-benzofuran-5-ol

> <FORMULA>
C16H16O3

> <MASS>
256.29640

> <MONOISOTOPIC_MASS>
256.10994

> <CHARGE>
0

> <SMILES>
COc1cc2O[C@H]([C@H](C)c2cc1O)c1ccccc1

> <INCHI>
InChI=1S/C16H16O3/c1-10-12-8-13(17)15(18-2)9-14(12)19-16(10)11-6-4-3-5-7-11/h3-10,16-17H,1-2H3/t10-,16-/m1/s1

> <INCHIKEY>
FRERFZXINXYHDY-QLJPJBMISA-N

> <REAXYS_REGISTRY_NUMBER>
1431004

> <PUBMED_CITATION>
14640516; 15473661

$$$$