10449415
  CDK     1202211635

 24 25  0  0  0  0  0  0  0  0999 V2000
    2.3644   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0 
  1 22  1  0  0  0  0 
  2 14  1  0  0  0  0 
  2 23  1  0  0  0  0 
  3 16  1  0  0  0  0 
  3 24  1  0  0  0  0 
  4 13  1  0  0  0  0 
  5 10  2  0  0  0  0 
  6 15  1  0  0  0  0 
  7  8  1  0  0  0  0 
  7 10  1  0  0  0  0 
  8 12  1  0  0  0  0 
  9 10  1  0  0  0  0 
  9 11  1  0  0  0  0 
  9 13  2  0  0  0  0 
 11 15  2  0  0  0  0 
 12 17  2  0  0  0  0 
 12 18  1  0  0  0  0 
 13 14  1  0  0  0  0 
 14 16  2  0  0  0  0 
 15 16  1  0  0  0  0 
 17 19  1  0  0  0  0 
 18 20  2  0  0  0  0 
 19 21  2  0  0  0  0 
 20 21  1  0  0  0  0 
M  END
> <ID>
CHEBI:184598

> <NAME>
Dihydropedicin

> <STAR>
2

> <IUPAC_NAME>
1-(2,5-dihydroxy-3,4,6-trimethoxyphenyl)-3-phenylpropan-1-one

> <FORMULA>
C18H20O6

> <MASS>
332.352

> <MONOISOTOPIC_MASS>
332.12599

> <CHARGE>
0

> <SMILES>
O(C=1C(C(=O)CCC2=CC=CC=C2)=C(O)C(OC)=C(OC)C1O)C

> <INCHI>
InChI=1S/C18H20O6/c1-22-16-13(12(19)10-9-11-7-5-4-6-8-11)14(20)17(23-2)18(24-3)15(16)21/h4-8,20-21H,9-10H2,1-3H3

> <INCHIKEY>
HIEHRZJVVWOTEJ-UHFFFAOYSA-N

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPK12120562

$$$$