9947802
  CDK     0602212311

 21 22  0  0  0  0  0  0  0  0999 V2000
    3.5219   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0929   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9508   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2364    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2364    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5219   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5219    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9508    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2364   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5219   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2364   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0929   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6654    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9508    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3798    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6654    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3798    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2364   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0 
  1 21  1  0  0  0  0 
  2  9  1  0  0  0  0 
  3  8  2  0  0  0  0 
  4 12  1  0  0  0  0 
  5  6  1  0  0  0  0 
  5  8  1  0  0  0  0 
  6 10  1  0  0  0  0 
  7  8  1  0  0  0  0 
  7  9  2  0  0  0  0 
  7 12  1  0  0  0  0 
  9 11  1  0  0  0  0 
 10 16  2  0  0  0  0 
 10 17  1  0  0  0  0 
 11 13  2  0  0  0  0 
 11 15  1  0  0  0  0 
 12 14  2  0  0  0  0 
 13 14  1  0  0  0  0 
 16 18  1  0  0  0  0 
 17 19  2  0  0  0  0 
 18 20  2  0  0  0  0 
 19 20  1  0  0  0  0 
M  END
> <ID>
CHEBI:174741

> <NAME>
Myrigalone G

> <STAR>
2

> <IUPAC_NAME>
1-(2,6-dihydroxy-4-methoxy-3-methylphenyl)-3-phenylpropan-1-one

> <FORMULA>
C17H18O4

> <MASS>
286.327

> <MONOISOTOPIC_MASS>
286.12051

> <CHARGE>
0

> <SMILES>
O(C1=C(C(O)=C(C(=O)CCC2=CC=CC=C2)C(O)=C1)C)C

> <INCHI>
InChI=1S/C17H18O4/c1-11-15(21-2)10-14(19)16(17(11)20)13(18)9-8-12-6-4-3-5-7-12/h3-7,10,19-20H,8-9H2,1-2H3

> <INCHIKEY>
BMBFYUFAFGLKJJ-UHFFFAOYSA-N

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPK12120493

$$$$