Mrv0541 12021310262D          

 22 25  0  0  0  0            999 V2000
   20.3329  -13.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8423  -13.8018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.8423  -12.4590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0566  -12.7168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0566  -13.5440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1518  -13.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3823  -12.4133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5592  -12.4175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7938  -13.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9310  -11.7981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.6045  -12.9579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.6876  -12.1348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3416  -12.3052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5633  -13.8433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3416  -13.9556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3865  -13.8433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6307  -12.7168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6307  -13.5440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7790  -12.7209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9199  -12.3094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4940  -12.3094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2049  -12.7209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  8  2  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  7  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 13  4  2  0  0  0  0
 14  6  2  0  0  0  0
 15  5  2  0  0  0  0
 16 14  1  0  0  0  0
 17 13  1  0  0  0  0
 18 15  1  0  0  0  0
 19 21  1  0  0  0  0
 20 17  1  0  0  0  0
 21 22  1  0  0  0  0
 22 20  1  0  0  0  0
  5  4  1  0  0  0  0
  9 16  2  0  0  0  0
 18 17  2  0  0  0  0
 12 11  1  0  0  0  0
M  END
> <ID>
CHEBI:69557

> <NAME>
7-demethoxyegonol

> <DEFINITION>
A member of the class of 1-benzofurans that is  egonol in which the methoxy group at position 7 is replaced by a hydrogen. It has been isolated from the fruits of Styrax agrestis.

> <STAR>
3

> <SYNONYM>
demethoxyegonol; 5-(3-hydroxypropyl)-2-(3,4-methylenedioxyphenyl)benzofuran

> <IUPAC_NAME>
3-[2-(1,3-benzodioxol-5-yl)-1-benzofuran-5-yl]propan-1-ol

> <FORMULA>
C18H16O4

> <MASS>
296.31720

> <MONOISOTOPIC_MASS>
296.10486

> <CHARGE>
0

> <SMILES>
OCCCc1ccc2oc(cc2c1)-c1ccc2OCOc2c1

> <INCHI>
InChI=1S/C18H16O4/c19-7-1-2-12-3-5-15-14(8-12)10-17(22-15)13-4-6-16-18(9-13)21-11-20-16/h3-6,8-10,19H,1-2,7,11H2

> <INCHIKEY>
YQEPMZLWYOAQNI-UHFFFAOYSA-N

> <REAXYS_REGISTRY_NUMBER>
1390615

> <PUBMED_CITATION>
21939219

$$$$