91987768
  CDK     0602212312

 22 24  0  0  0  0  0  0  0  0999 V2000
    3.8495   -1.4295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8495    1.0455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2784   -1.4295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1363   -1.4295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2784    0.2205    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2784    1.0455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5640   -0.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9929   -0.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8495    0.2205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350   -0.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9929    1.4580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5640   -1.0170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7073    0.2205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9929   -1.0170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350   -1.0170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3975    0.2492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4219   -0.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7073   -1.4295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3975   -1.4580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4219   -1.0170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.1748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.0341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0 
  1 15  1  0  0  0  0 
  2  9  1  0  0  0  0 
  3 12  2  0  0  0  0 
  4 20  1  0  0  0  0 
  5  6  1  6  0  0  0 
  5  7  1  0  0  0  0 
  5  8  1  0  0  0  0 
  6 11  1  0  0  0  0 
  7  9  2  0  0  0  0 
  7 12  1  0  0  0  0 
  8 13  2  0  0  0  0 
  8 14  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10 15  1  0  0  0  0 
 10 16  2  0  0  0  0 
 13 17  1  0  0  0  0 
 14 18  2  0  0  0  0 
 15 19  2  0  0  0  0 
 16 21  1  0  0  0  0 
 17 20  2  0  0  0  0 
 18 20  1  0  0  0  0 
 19 22  1  0  0  0  0 
 21 22  2  0  0  0  0 
M  END
> <ID>
CHEBI:174814

> <NAME>
4'-Hydroxy-R-phenprocoumon

> <STAR>
2

> <IUPAC_NAME>
4-hydroxy-3-[(1R)-1-(4-hydroxyphenyl)propyl]chromen-2-one

> <FORMULA>
C18H16O4

> <MASS>
296.322

> <MONOISOTOPIC_MASS>
296.10486

> <CHARGE>
0

> <SMILES>
O1C(=O)C([C@H](CC)C2=CC=C(O)C=C2)=C(O)C=3C1=CC=CC3

> <INCHI>
InChI=1S/C18H16O4/c1-2-13(11-7-9-12(19)10-8-11)16-17(20)14-5-3-4-6-15(14)22-18(16)21/h3-10,13,19-20H,2H2,1H3/t13-/m1/s1

> <INCHIKEY>
ZPNYHQZRGWFLST-CYBMUJFWSA-N

$$$$